Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol

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PubChem ID

CID: 5757

SID: 14799365

Canonical SMILES	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O Show/Hide
Compound Formula	C18H24O2

Compound Structure

Protein Name

Protein Info

Estrogen receptor

Protein Classification

Transcription factor

Nuclear receptor

Nuclear hormone receptor subfamily 3

Nuclear hormone receptor subfamily 3 group A

Nuclear hormone receptor subfamily 3 group A member 1

Uniprot ID

P03372

Gene Name

ESR1

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000168	AH109A-TC Cell Line Info	Rattus norvegicus (Rat)	1
1	EC50 = 1.05 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	2
1	EC50 = 0.05 nM	TI LI LO TS
2	EC50 = 5 nM	TI LI LO TS
CL000109	COS-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	EC50 = 2.4 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	EC50 = 3.2 nM	TI LI LO TS
CL000209	HEC-1 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.1 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 0.1 nM	TI LI LO TS
2	EC50 = 0.35 nM	TI LI LO TS
3	IC50 = 0.75 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	7
1	EC50 = 0.024 nM	TI LI LO TS
2	EC50 = 0.046 nM	TI LI LO TS
3	EC50 = 0.06457 nM	TI LI LO TS
4	EC50 = 0.09 nM	TI LI LO TS
5	EC50 = 0.11 nM	TI LI LO TS
6	EC50 = 0.13 nM	TI LI LO TS
7	EC50 = 0.75 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 0.02 nM	TI LI LO TS
2	EC50 = 0.21 nM	TI LI LO TS
3	IC50 = 28 nM	TI LI LO TS
4	Ki = 0.16 nM	TI LI LO TS
CL000063	Hep-G2 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 2.2 nM	TI LI LO TS
CL000211	Ishikawa Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.03 nM	TI LI LO TS
CL000083	MCF-7 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 10 nM	TI LI LO TS
2	IC50 = 0.2 nM	TI LI LO TS
CL000644	MCF-7-2a Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 0.08 nM	TI LI LO TS
2	EC50 = 0.49 nM	TI LI LO TS
CL000210	MCF-7/2a Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.1 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	3
1	IC50 = 1.607 nM	TI LI LO TS
2	IC50 = 12.5 nM	TI LI LO TS
3	Ki = 0.459 nM	TI LI LO TS
CL000078	T-47D Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.07 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 0.019 nM	TI LI LO TS
2	EC50 = 2.773 nM	TI LI LO TS
3	IC50 = 21.04 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 0.018 nM
2	EC50 = 0.107 nM
3	EC50 = 0.26 nM
4	EC50 = 0.31 nM
5	EC50 = 0.37 nM
6	EC50 = 1 nM
7	EC50 = 1.08 nM
8	EC50 = 5.7 nM
9	IC50 = 0.33 nM
10	IC50 = 0.452 nM
11	IC50 = 0.57 nM
12	IC50 = 0.58 nM
13	IC50 = 0.89 nM
14	IC50 = 0.9 nM
15	IC50 = 1 nM
16	IC50 = 1.2 nM
17	IC50 = 1.3 nM
18	IC50 = 1.35 nM
19	IC50 = 1.4 nM
20	IC50 = 1.6 nM
21	IC50 = 1.7 nM
22	IC50 = 2 nM
23	IC50 = 2.58 nM
24	IC50 = 3 nM
25	IC50 = 3.2 nM
26	IC50 = 3.4 nM
27	IC50 = 3.6 nM
28	IC50 = 4 nM
29	IC50 = 4.5 nM
30	IC50 = 4.7 nM
31	IC50 = 5.7 nM
32	IC50 = 5.9 nM
33	IC50 = 10 nM
34	IC50 = 10.12 nM
35	IC50 = 11 nM
36	IC50 = 18 nM
37	IC50 = 28 nM
38	IC50 = 46 nM
39	Ka = 0.2 nM
40	Kd = 0.2 nM
41	Kd = 3 nM
42	Kd = 3.49 nM
43	Ki = 1.1 nM
44	Ki = 1.995 nM
45	Ki = 2 nM
46	Ki = 2.2 nM
47	Ki = 12 nM
48	Ki = 100 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han