Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50018033   

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))	BDBM50190049 (2-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8| Show InChI InChI=1S/C25H23Cl2N5O/c1-30-12-14-31(15-13-30)24-19-7-3-5-9-22(19)32(23-11-10-17(26)16-21(23)28-24)29-25(33)18-6-2-4-8-20(18)27/h2-11,16H,12-15H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190062 (CHEMBL213336 | N-[8-chloro-11-(4-methyl-piperazin-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8| Show InChI InChI=1S/C27H28ClN5O/c1-18-7-6-8-19(2)25(18)27(34)30-33-23-10-5-4-9-21(23)26(32-15-13-31(3)14-16-32)29-22-17-20(28)11-12-24(22)33/h4-12,17H,13-16H2,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190059 (CHEMBL425069 | N-[8-chloro-11-(4-methyl-piperazin-...) Show SMILES COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23| Show InChI InChI=1S/C27H28ClN5O3/c1-31-13-15-32(16-14-31)26-19-7-4-5-8-21(19)33(22-12-11-18(28)17-20(22)29-26)30-27(34)25-23(35-2)9-6-10-24(25)36-3/h4-12,17H,13-16H2,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190186 (CHEMBL213492 | N-[8-chloro-11-(4-methyl-piperazin-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8| Show InChI InChI=1S/C26H22ClF4N5O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(29,30)31)6-4-7-19(23)28/h2-10,15H,11-14H2,1H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190193 (CHEMBL213834 | naphthalene-1-carboxylic acid [8-ch...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C29H26ClN5O/c1-33-15-17-34(18-16-33)28-24-10-4-5-12-26(24)35(27-14-13-21(30)19-25(27)31-28)32-29(36)23-11-6-8-20-7-2-3-9-22(20)23/h2-14,19H,15-18H2,1H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	458	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190203 (2-amino-6-chloro-N-[8-chloro-11-(4-methyl-piperazi...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8| Show InChI InChI=1S/C25H24Cl2N6O/c1-31-11-13-32(14-12-31)24-17-5-2-3-8-21(17)33(22-10-9-16(26)15-20(22)29-24)30-25(34)23-18(27)6-4-7-19(23)28/h2-10,15H,11-14,28H2,1H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	496	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190208 (2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-d...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8| Show InChI InChI=1S/C26H27ClN6O/c1-17-6-5-8-20(28)24(17)26(34)30-33-22-9-4-3-7-19(22)25(32-14-12-31(2)13-15-32)29-21-16-18(27)10-11-23(21)33/h3-11,16H,12-15,28H2,1-2H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at dopamine D2 receptor				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair