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 beta

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 2

Uniprot ID

Q92731

Gene Name

ESR2

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 = 1.08 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 0.036 nM	TI LI LO TS
CL000109	COS-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	EC50 = 9.7 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	EC50 = 11 nM	TI LI LO TS
CL000759	GeneBLAzer ERbeta-UAS-bla GripTite 293 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.25 nM	TI LI LO TS
CL000209	HEC-1 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.5 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 0.03981 nM	TI LI LO TS
2	EC50 = 0.04 nM	TI LI LO TS
3	IC50 = 1.18 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 0.06166 nM	TI LI LO TS
2	EC50 = 0.085 nM	TI LI LO TS
3	EC50 = 2.1 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	5
1	EC50 = 0.07 nM	TI LI LO TS
2	EC50 = 0.37 nM	TI LI LO TS
3	EC50 = 0.59 nM	TI LI LO TS
4	EC50 = 0.84 nM	TI LI LO TS
5	IC50 = 24 nM	TI LI LO TS
CL000063	Hep-G2 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 11 nM	TI LI LO TS
CL000111	MDA-MB-231 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.03 nM	TI LI LO TS
CL000004	SH-SY5Y Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.1 nM	TI LI LO TS
CL000078	T-47D Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 0.8 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 0.01 nM	TI LI LO TS
2	EC50 = 0.098 nM	TI LI LO TS
3	EC50 = 0.4581 nM	TI LI LO TS
4	IC50 = 10.74 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 0.02 nM
2	EC50 = 0.03 nM
3	EC50 = 0.039 nM
4	EC50 = 0.151 nM
5	EC50 = 0.21 nM
6	EC50 = 0.25 nM
7	EC50 = 1.05 nM
8	EC50 = 5.6 nM
9	EC50 = 24 nM
10	IC50 = 0.3 nM
11	IC50 = 0.89 nM
12	IC50 = 1 nM
13	IC50 = 1.02 nM
14	IC50 = 1.1 nM
15	IC50 = 1.2 nM
16	IC50 = 1.4 nM
17	IC50 = 1.9 nM
18	IC50 = 2 nM
19	IC50 = 2.79 nM
20	IC50 = 2.9 nM
21	IC50 = 3 nM
22	IC50 = 3.2 nM
23	IC50 = 3.6 nM
24	IC50 = 4 nM
25	IC50 = 5.6 nM
26	IC50 = 11 nM
27	IC50 = 11.35 nM
28	IC50 = 16.7 nM
29	IC50 = 19 nM
30	IC50 = 24 nM
31	Ka = 0.5 nM
32	Kd = 0.5 nM
33	Kd = 4.12 nM
34	Ki = 2 nM
35	Ki = 3.162 nM
36	Ki = 3.5 nM
37	Ki = 100 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han