BDBM50126158 3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)benzonitrile::CHEMBL28157

SMILES: Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N

InChI Key: InChIKey=HJOUYAMEBCDGKK-UHFFFAOYSA-N

Data: 4 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50126158   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen Receptor (Mus musculus)	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against Androgen receptor in mouse fibroblast L929 cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against glucocorticoid receptor in human lung A549 cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of 3 nM [3H]-R5020 binding to progesterone receptor in human T47D cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Androgen Receptor (Mus musculus)	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against Androgen receptor in mouse fibroblast L929 cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against glucocorticoid receptor in human lung A549 cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Progesterone receptor (Rattus norvegicus)	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00250	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory progestational activity on oral administration in uterine C3 model				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair