Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50010851   

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))	BDBM50021365 (CHEMBL407641 | Mezilamine | [4-Chloro-6-(4-methyl-...) Show SMILES CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1 Show InChI InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 1141-4 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50099383 (4-Chloro-2-(4-methyl-piperazin-1-yl)-3-phenylsulfa...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(Cl)c1Sc1ccccc1 Show InChI InChI=1S/C20H20ClN3S/c1-23-11-13-24(14-12-23)20-19(25-15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)22-20/h2-10H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 1141-4 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50099386 ((1-Benzyl-piperidin-4-yl)-[6-chloro-5-(4-chloro-ph...) Show SMILES Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C23H24Cl2N4S/c1-16-26-22(25)21(30-20-9-7-18(24)8-10-20)23(27-16)28-19-11-13-29(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 1141-4 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50099382 (4-Chloro-5-(4-chloro-phenylsulfanyl)-2-methyl-6-(4...) Show SMILES CN1CCN(CC1)c1nc(C)nc(Cl)c1Sc1ccc(Cl)cc1 Show InChI InChI=1S/C16H18Cl2N4S/c1-11-19-15(18)14(23-13-5-3-12(17)4-6-13)16(20-11)22-9-7-21(2)8-10-22/h3-6H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 1141-4 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50099384 (CHEMBL14899 | [4-Chloro-6-(4-methyl-piperazin-1-yl...) Show SMILES CNc1nc(Cl)c(Sc2ccccc2)c(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H20ClN5S/c1-18-16-19-14(17)13(23-12-6-4-3-5-7-12)15(20-16)22-10-8-21(2)9-11-22/h3-7H,8-11H2,1-2H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 1141-4 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50099385 ((1S,2R,6S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-y...) Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 1141-4 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
					More data for this Ligand-Target Pair