null

SMILES: Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1

InChI Key: InChIKey=RDUMIPGVYMABLR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50158076   

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))	BDBM50158076 ((2S,6R)-4-Quinolin-7-yl-4-aza-tricyclo[5.2.1.0*2,6...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C18H14N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-6-5-10-2-1-7-19-14(10)9-13/h1-7,9,11-12,21-22H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50158076 ((2S,6R)-4-Quinolin-7-yl-4-aza-tricyclo[5.2.1.0*2,6...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C18H14N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-6-5-10-2-1-7-19-14(10)9-13/h1-7,9,11-12,21-22H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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))	BDBM50158076 ((2S,6R)-4-Quinolin-7-yl-4-aza-tricyclo[5.2.1.0*2,6...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C18H14N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-6-5-10-2-1-7-19-14(10)9-13/h1-7,9,11-12,21-22H,8H2	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	1.04E+3	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))	BDBM50158076 ((2S,6R)-4-Quinolin-7-yl-4-aza-tricyclo[5.2.1.0*2,6...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C18H14N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-6-5-10-2-1-7-19-14(10)9-13/h1-7,9,11-12,21-22H,8H2	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	234	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
Androgen receptor (Homo sapiens (Human))	BDBM50158076 ((2S,6R)-4-Quinolin-7-yl-4-aza-tricyclo[5.2.1.0*2,6...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C18H14N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-6-5-10-2-1-7-19-14(10)9-13/h1-7,9,11-12,21-22H,8H2	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	52	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