BDBM50158077 (2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione::CHEMBL178469

SMILES: Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=WQRUPXNGIDOCHC-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50158077   

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))	BDBM50158077 ((2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4| Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-5,7-9,21-22H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	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 Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50158077 ((2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4| Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-5,7-9,21-22H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	632	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 Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50158077 ((2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4| Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-5,7-9,21-22H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	744	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assay				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50158077 ((2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4| Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-5,7-9,21-22H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of T877A androgen receptor of human prostate cancer cells in reporter gene assay				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50158077 ((2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4| Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-5,7-9,21-22H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of L701H/T877A mutant androgen receptor of human prostate cancer MDAMB-PCa2b cell proliferation				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair