BDBM50156509 4-((1S,6R,7S)-8-Benzoyl-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-2-trifluoromethyl-benzonitrile::CHEMBL189600

SMILES: Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=WDSFCSOIFMEQHG-RDJZCZTQSA-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 = 50156509   

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))	BDBM50156509 (4-((1S,6R,7S)-8-Benzoyl-3,5-dioxo-2,4,8-triaza-tri...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H15F3N4O3/c23-22(24,25)16-8-14(7-6-13(16)10-26)29-20(31)18-17-9-15(28(18)21(29)32)11-27(17)19(30)12-4-2-1-3-5-12/h1-8,15,17,31H,9,11H2/t15-,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	120	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))	BDBM50156509 (4-((1S,6R,7S)-8-Benzoyl-3,5-dioxo-2,4,8-triaza-tri...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H15F3N4O3/c23-22(24,25)16-8-14(7-6-13(16)10-26)29-20(31)18-17-9-15(28(18)21(29)32)11-27(17)19(30)12-4-2-1-3-5-12/h1-8,15,17,31H,9,11H2/t15-,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	2.60E+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
Androgen Receptor (Homo sapiens (Human))	BDBM50156509 (4-((1S,6R,7S)-8-Benzoyl-3,5-dioxo-2,4,8-triaza-tri...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H15F3N4O3/c23-22(24,25)16-8-14(7-6-13(16)10-26)29-20(31)18-17-9-15(28(18)21(29)32)11-27(17)19(30)12-4-2-1-3-5-12/h1-8,15,17,31H,9,11H2/t15-,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	300	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