Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50109945'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50109945 (3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...) Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.				Bioorg Med Chem Lett 12: 633-6 (2002) BindingDB Entry DOI: 10.7270/Q2JM2B5X
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50109945 (3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...) Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Tested for the effective concentration against human D4.2 receptor in CHO 10001 cells established in mitogenesis assay				Bioorg Med Chem Lett 12: 633-6 (2002) BindingDB Entry DOI: 10.7270/Q2JM2B5X
					More data for this Ligand-Target Pair