Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alcohol dehydrogenase class-3' and Ligand = 'BDBM47045'   

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
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47045 (US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...) Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47045 (US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...) Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47045 (US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...) Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.25E+3	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair