Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50016444'   

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))	BDBM50016444 (CHEMBL3265065) Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 |r,wU:26.30,9.11,6.6,wD:24.26,(60.72,-41.94,;60.71,-40.4,;59.37,-39.63,;59.36,-38.09,;60.69,-37.32,;62.03,-38.08,;63.36,-37.3,;63.75,-38.78,;64.84,-37.7,;65.23,-36.21,;63.74,-35.82,;66.56,-35.43,;67.9,-36.2,;67.91,-37.74,;69.23,-35.42,;69.21,-33.89,;70.54,-33.11,;71.88,-33.87,;73.2,-33.1,;74.54,-33.85,;74.55,-35.4,;73.22,-36.17,;71.89,-35.41,;70.56,-36.19,;58.03,-37.33,;57.25,-36,;56.49,-37.34,;55.16,-38.11,;53.82,-37.35,;52.49,-38.12,;52.49,-39.67,;53.83,-40.44,;53.83,-41.98,;55.16,-39.67,)| Show InChI InChI=1S/C29H33ClN2O2/c1-2-13-32(27-17-26(27)22-8-5-9-24(30)16-22)14-12-29(34)18-25(19-29)31-28(33)23-11-10-20-6-3-4-7-21(20)15-23/h3-11,15-16,25-27,34H,2,12-14,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis				J Med Chem 57: 4962-8 (2014) Article DOI: 10.1021/jm401798r BindingDB Entry DOI: 10.7270/Q2BV7J5V
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