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SMILES: Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12

InChI Key: InChIKey=XREAUOARUFLUSV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50158066   

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))	BDBM50158066 ((2S,6R)-4-(8-Hydroxy-quinolin-5-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)| Show InChI InChI=1S/C18H14N2O3/c21-13-6-5-12(11-2-1-7-19-16(11)13)20-17(22)14-9-3-4-10(8-9)15(14)18(20)23/h1-7,9-10,21-23H,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	32	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))	BDBM50158066 ((2S,6R)-4-(8-Hydroxy-quinolin-5-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)| Show InChI InChI=1S/C18H14N2O3/c21-13-6-5-12(11-2-1-7-19-16(11)13)20-17(22)14-9-3-4-10(8-9)15(14)18(20)23/h1-7,9-10,21-23H,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	162	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))	BDBM50158066 ((2S,6R)-4-(8-Hydroxy-quinolin-5-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)| Show InChI InChI=1S/C18H14N2O3/c21-13-6-5-12(11-2-1-7-19-16(11)13)20-17(22)14-9-3-4-10(8-9)15(14)18(20)23/h1-7,9-10,21-23H,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	1.79E+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 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))	BDBM50158066 ((2S,6R)-4-(8-Hydroxy-quinolin-5-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)| Show InChI InChI=1S/C18H14N2O3/c21-13-6-5-12(11-2-1-7-19-16(11)13)20-17(22)14-9-3-4-10(8-9)15(14)18(20)23/h1-7,9-10,21-23H,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	418	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))	BDBM50158066 ((2S,6R)-4-(8-Hydroxy-quinolin-5-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)| Show InChI InChI=1S/C18H14N2O3/c21-13-6-5-12(11-2-1-7-19-16(11)13)20-17(22)14-9-3-4-10(8-9)15(14)18(20)23/h1-7,9-10,21-23H,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	3.64E+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 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