BDBM50156504 (1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-8-carboxylic acid 4-fluoro-phenyl ester::CHEMBL362566

SMILES: Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=ZFDKGZRUOMXKBJ-YOEHRIQHSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50156504   

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 (Homo sapiens (Human))	BDBM50156504 ((1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17,31H,8,10H2/t14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50156504 ((1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17,31H,8,10H2/t14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50156504 ((1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17,31H,8,10H2/t14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against mutant androgen receptor of LNCap cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair