Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50021816'   

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))	BDBM50021816 (CHEMBL3298759) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1 Show InChI InChI=1S/C24H30ClN5O3S/c1-15-18-20(26)21(34-24(18)28-23(33-3)19(15)25)22(31)27-9-6-10-29-11-13-30(14-12-29)16-7-4-5-8-17(16)32-2/h4-5,7-8H,6,9-14,26H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis				J Med Chem 57: 4924-39 (2014) Article DOI: 10.1021/jm500457x BindingDB Entry DOI: 10.7270/Q29Z96FS
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