Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50157819'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM50157819 ((2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-d...) Show SMILES CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)| Show InChI InChI=1S/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	115	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 Binding affinity for mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157819 ((2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-d...) Show SMILES CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)| Show InChI InChI=1S/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	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 Binding affinity for androgen receptor in human MDA-453 cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157819 ((2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-d...) Show SMILES CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)| Show InChI InChI=1S/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	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 mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157819 ((2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-d...) Show SMILES CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)| Show InChI InChI=1S/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+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 androgen receptor in human MDA-453 cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157819 ((2R,6R)-8-Methyl-4-(4-nitro-naphthalen-1-yl)-4,8-d...) Show SMILES CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)| Show InChI InChI=1S/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.46E+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 androgen dependent human prostate cancer cell MDA-MB-PCa2b proliferation				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair