Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one

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PubChem ID

CID: 5755

SID: 12012573

Canonical SMILES	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Show/Hide
Compound Formula	C21H28O5

Compound Structure

Protein Name

Protein Info

Glucocorticoid receptor

Protein Classification

Transcription factor

Nuclear receptor

Nuclear hormone receptor subfamily 3

Nuclear hormone receptor subfamily 3 group C

Nuclear hormone receptor subfamily 3 group C member 1

Uniprot ID

P04150

Gene Name

NR3C1

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000782	297L1 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 23 nM	TI LI LO TS
CL000068	A-549 Cell Line Info	Homo sapiens (Human)	8
1	EC50 = 4.5 nM	TI LI LO TS
2	EC50 = 13.6 nM	TI LI LO TS
3	EC50 = 14.4 nM	TI LI LO TS
4	EC50 = 15.8 nM	TI LI LO TS
5	EC50 = 16.1 nM	TI LI LO TS
6	EC50 = 31.62 nM	TI LI LO TS
7	EC50 = 50.12 nM	TI LI LO TS
8	IC50 = 8.511 nM	TI LI LO TS
CL000361	C2C12 Cell Line Info	Mus musculus (Mouse)	1
1	EC50 = 3.4 nM	TI LI LO TS
CL000464	ChaGo-K-1 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 110 nM	TI LI LO TS
2	IC50 = 40 nM	TI LI LO TS
CL000044	CV-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	5
1	EC50 = 3.3 nM	TI LI LO TS
2	EC50 = 5.3 nM	TI LI LO TS
3	EC50 = 8 nM	TI LI LO TS
4	IC50 = 2.1 nM	TI LI LO TS
5	IC50 = 8 nM	TI LI LO TS
CL000430	H4-II-E-C3 Cell Line Info	Rattus norvegicus (Rat)	1
1	EC50 = 26 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 1.14 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 16 nM	TI LI LO TS
2	EC50 = 21 nM	TI LI LO TS
3	EC50 = 73.9 nM	TI LI LO TS
4	EC50 = 82.7 nM	TI LI LO TS
CL000162	HeLa S3 Cell Line Info	Homo sapiens (Human)	2
1	IC50 = 16 nM	TI LI LO TS
2	Ki = 7.397 nM	TI LI LO TS
CL000063	Hep-G2 Cell Line Info	Homo sapiens (Human)	10
1	EC50 = 2.1 nM	TI LI LO TS
2	EC50 = 2.6 nM	TI LI LO TS
3	EC50 = 5.3 nM	TI LI LO TS
4	EC50 = 24 nM	TI LI LO TS
5	EC50 = 26 nM	TI LI LO TS
6	EC50 = 211 nM	TI LI LO TS
7	IC50 = 2.1 nM	TI LI LO TS
8	IC50 = 4.1 nM	TI LI LO TS
9	IC50 = 23 nM	TI LI LO TS
10	IC50 = 340 nM	TI LI LO TS
CL000148	Huh-7 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 57.4 nM	TI LI LO TS
2	EC50 = 64 nM	TI LI LO TS
CL000228	IM-9 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 13 nM	TI LI LO TS
CL000246	NCI-H292 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 7.7 nM	TI LI LO TS
CL000231	NP1 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 82.7 nM	TI LI LO TS
CL000012	Sf21 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	Ki = 2.4 nM	TI LI LO TS

Biochemical Assays

1	Activity = 2.4 nM
2	EC50 = 19 nM
3	IC50 = 0.526 nM
4	IC50 = 6 nM
5	IC50 = 6.1 nM
6	IC50 = 6.6 nM
7	IC50 = 7 nM
8	IC50 = 12.59 nM
9	IC50 = 13.8 nM
10	IC50 = 15 nM
11	IC50 = 300 nM
12	Ki = 1.5 nM
13	Ki = 2.4 nM
14	Ki = 5.3 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han