Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one

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PubChem ID

CID: 5743

SID: 12012603

Canonical SMILES	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Show/Hide
Compound Formula	C22H29FO5

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
CL000068	A-549 Cell Line Info	Homo sapiens (Human)	9
1	EC50 = 1.1 nM	TI LI LO TS
2	EC50 = 2.5 nM	TI LI LO TS
3	EC50 = 5.012 nM	TI LI LO TS
4	EC50 = 5.37 nM	TI LI LO TS
5	IC50 = 1 nM	TI LI LO TS
6	IC50 = 1.175 nM	TI LI LO TS
7	IC50 = 3.981 nM	TI LI LO TS
8	IC50 > 10000 nM	TI LI LO TS
9	IC50 < 1000 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 30 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	EC50 = 7.2 nM	TI LI LO TS
CL000044	CV-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	1
1	EC50 = 0.2 nM	TI LI LO TS
CL000362	GripTite 293 MSR Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 12.5 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	1
1	Kd = 2.8 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 1.3 nM	TI LI LO TS
2	Ki = 0.69 nM	TI LI LO TS
CL000017	HeLa Cell Line Info	Homo sapiens (Human)	6
1	EC50 = 4.2 nM	TI LI LO TS
2	EC50 = 4.5 nM	TI LI LO TS
3	EC50 = 7.943 nM	TI LI LO TS
4	EC50 = 17 nM	TI LI LO TS
5	IC50 = 1.585 nM	TI LI LO TS
6	IC50 = 7.943 nM	TI LI LO TS
CL000162	HeLa S3 Cell Line Info	Homo sapiens (Human)	4
1	IC50 = 4.1 nM	TI LI LO TS
2	IC50 = 8.06 nM	TI LI LO TS
3	Ki = 2.2 nM	TI LI LO TS
4	Ki = 3.664 nM	TI LI LO TS
CL000227	HFF Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1 nM	TI LI LO TS
CL000148	Huh-7 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 5 nM	TI LI LO TS
CL000228	IM-9 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 3.8 nM	TI LI LO TS
CL000231	NP1 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 4.2 nM	TI LI LO TS
CL000186	RPMI-8226 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1.4 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	IC50 = 12.59 nM	TI LI LO TS
CL000229	SW1353 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1.8 nM	TI LI LO TS
CL000040	THP-1 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 2.512 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	2
1	EC50 < 15848.93 nM	TI LI LO TS
2	IC50 = 0.5082 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 1.8 nM
2	EC50 = 3.7 nM
3	EC50 = 6.9 nM
4	IC50 = 0.5 nM
5	IC50 = 0.51 nM
6	IC50 = 2.5 nM
7	IC50 = 3 nM
8	IC50 = 3.4 nM
9	IC50 = 3.5 nM
10	IC50 = 5 nM
11	IC50 = 6 nM
12	IC50 = 6.1 nM
13	IC50 = 7.586 nM
14	IC50 = 7.943 nM
15	IC50 = 11.4 nM
16	IC50 = 12.59 nM
17	IC50 = 21 nM
18	Kd = 2 nM
19	Kd = 19 nM
20	Ki = 1.1 nM
21	Ki = 1.2 nM
22	Ki = 1.5 nM
23	Ki = 2.1 nM
24	Ki = 3 nM
25	Ki = 5.5 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han