Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50027189   

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))	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	DrugBank Article PubMed	5.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50264101 (1-(2,4-dimethylphenyl)-4-(((1R,2S)-2-phenylcyclopr...) Show SMILES Cc1ccc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 |r| Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	515	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50092744 (1-(2,4-Dimethyl-phenyl)-4-(2-phenyl-cyclopropylmet...) Show SMILES Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(C)c1 |r| Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50264100 (1-(2,4-dimethylphenyl)-4-(((1S,2R)-2-phenylcyclopr...) Show SMILES Cc1ccc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)c(C)c1 |r| Show InChI InChI=1S/C22H28N2/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19/h3-9,14,20-21H,10-13,15-16H2,1-2H3/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	935	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50264102 ((1S,2S)-1-[4-(2,4-Dimethylphenyl)piperazyl]methyl-...) Show SMILES Cc1ccc(N2CCN(C[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1 |r| Show InChI InChI=1S/C23H30N2/c1-18-9-10-22(19(2)15-18)25-13-11-24(12-14-25)17-21-16-23(21,3)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50263350 ((1S,2S)-1-[(S)-2-[4-(2,4-Dimethylphenyl)piperazyl]...) Show SMILES C[C@@H]([C@H]1C[C@]1(C)c1ccccc1)N1CCN(CC1)c1ccc(C)cc1C |r| Show InChI InChI=1S/C24H32N2/c1-18-10-11-23(19(2)16-18)26-14-12-25(13-15-26)20(3)22-17-24(22,4)21-8-6-5-7-9-21/h5-11,16,20,22H,12-15,17H2,1-4H3/t20-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50264103 ((1S,2S)-1-[(R)-2-[4-(2,4-Dimethylphenyl)piperazyl]...) Show SMILES C[C@H]([C@H]1C[C@]1(C)c1ccccc1)N1CCN(CC1)c1ccc(C)cc1C |r| Show InChI InChI=1S/C24H32N2/c1-18-10-11-23(19(2)16-18)26-14-12-25(13-15-26)20(3)22-17-24(22,4)21-8-6-5-7-9-21/h5-11,16,20,22H,12-15,17H2,1-4H3/t20-,22-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter				Bioorg Med Chem 16: 8875-81 (2008) Article DOI: 10.1016/j.bmc.2008.08.061 BindingDB Entry DOI: 10.7270/Q2WQ03M7
					More data for this Ligand-Target Pair