Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50035823   

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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50014645 (7-Methoxy-1-methyl-isoquinolin-6-ol | 7-Methoxy-1-...) Show SMILES COS(O)(=O)=O.COc1cc2c(C)nccc2cc1O Show InChI InChI=1S/C11H11NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h3-6,13H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 33: 147-52 (1990) BindingDB Entry DOI: 10.7270/Q26110X9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50014636 (6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquino...) Show SMILES COc1cc2CCN[C@H](C)c2cc1OC Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 147-52 (1990) BindingDB Entry DOI: 10.7270/Q26110X9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50014640 (1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol;...) Show SMILES C[C@H]1NCCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 33: 147-52 (1990) BindingDB Entry DOI: 10.7270/Q26110X9
					More data for this Ligand-Target Pair