Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50008377   

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))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D4 by the inhibition of [3H]-spiperone binding to human recombinant CHO cells using unlabeled halo...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D4 by the inhibition of [3H]-spiperone binding to human recombinant CHO cells using unlabeled halo...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D4 by the inhibition of [3H]-spiperone binding to human recombinant CHO cells using unlabeled halo...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D4 by the inhibition of [3H]-spiperone binding to human recombinant CHO cells using unlabeled halo...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair