Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50034140   

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 dopamine transporter (Homo sapiens (Human))	BDBM50357702 (CHEMBL1915726) Show SMILES COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1 Show InChI InChI=1S/C23H21FN4O2/c1-29-21-7-4-19(26-14-21)16-30-20-5-2-18(3-6-20)23-22(15-28(27-23)13-10-24)17-8-11-25-12-9-17/h2-9,11-12,14-15H,10,13,16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50357701 (CHEMBL1915725 | US9138494, Janssen B-3) Show SMILES Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1 Show InChI InChI=1S/C24H23FN4O/c1-17-13-18(2)23(27-14-17)16-30-21-5-3-20(4-6-21)24-22(15-29(28-24)12-9-25)19-7-10-26-11-8-19/h3-8,10-11,13-15H,9,12,16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag SA Curated by ChEMBL					Assay Description Inhibition of human DAT				J Med Chem 54: 5820-35 (2011) Article DOI: 10.1021/jm200536d BindingDB Entry DOI: 10.7270/Q2NV9JNP
					More data for this Ligand-Target Pair