Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50463988'   

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))	BDBM50463988 (CHEMBL4242453) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50463988 (CHEMBL4242453) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair