Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50016447'   

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))	BDBM50016447 (CHEMBL3265064) Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1Cl |r,wU:26.30,9.11,6.6,wD:24.26,(35.58,-43.79,;35.58,-42.25,;34.24,-41.49,;34.23,-39.95,;35.56,-39.17,;36.9,-39.94,;38.23,-39.16,;38.62,-40.64,;39.71,-39.56,;40.1,-38.07,;38.61,-37.68,;41.43,-37.29,;42.77,-38.05,;42.78,-39.59,;44.1,-37.28,;44.08,-35.75,;45.4,-34.97,;46.75,-35.73,;48.07,-34.96,;49.41,-35.71,;49.42,-37.25,;48.09,-38.03,;46.76,-37.27,;45.43,-38.05,;32.89,-39.19,;32.12,-37.86,;31.36,-39.2,;30.02,-39.97,;28.69,-39.21,;27.36,-39.98,;27.36,-41.52,;28.69,-42.29,;30.03,-41.52,;31.37,-42.29,)| Show InChI InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-25(27)24-9-5-6-10-26(24)30)15-13-29(34)18-23(19-29)31-28(33)22-12-11-20-7-3-4-8-21(20)16-22/h3-12,16,23,25,27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t23-,25-,27+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	923	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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