Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50190211'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190211 (3-ethoxy-benzo[b]thiophene-2-carboxylic acid [8-ch...) Show SMILES CCOc1c(sc2ccccc12)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:26| Show InChI InChI=1S/C29H28ClN5O2S/c1-3-37-26-21-9-5-7-11-25(21)38-27(26)29(36)32-35-23-10-6-4-8-20(23)28(34-16-14-33(2)15-17-34)31-22-18-19(30)12-13-24(22)35/h4-13,18H,3,14-17H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	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 Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
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