Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50016556   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50170624 (1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...) Show SMILES CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C28H27F4N5O/c1-35-11-13-36(14-12-35)15-16-37(27(38)34-23-7-10-25(26(29)18-23)28(30,31)32)24-8-5-21(6-9-24)22-4-2-3-20(17-22)19-33/h2-10,17-18H,11-16H2,1H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of 5-hydroxytryptamine reuptake by serotonin transporter				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50170622 (3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...) Show SMILES CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C24H22ClFN4O/c1-29(2)12-13-30(24(31)28-20-8-11-23(26)22(25)15-20)21-9-6-18(7-10-21)19-5-3-4-17(14-19)16-27/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of 5-hydroxytryptamine reuptake by serotonin transporter				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair