Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50530680'   

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))	BDBM50530680 (CHEMBL4570273) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530680 (CHEMBL4570273) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530680 (CHEMBL4570273) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.145	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530680 (CHEMBL4570273) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.145	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair