Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50040879   

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))	BDBM50401415 (CHEMBL2207486) Show SMILES CCCN1CCC(CC1)c1cn(C)c2ccc(F)cc12 Show InChI InChI=1S/C17H23FN2/c1-3-8-20-9-6-13(7-10-20)16-12-19(2)17-5-4-14(18)11-15(16)17/h4-5,11-13H,3,6-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401414 (CHEMBL2207487) Show SMILES CCCN1CCC(CC1)c1csc2ccccc12 Show InChI InChI=1S/C16H21NS/c1-2-9-17-10-7-13(8-11-17)15-12-18-16-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401412 (CHEMBL2207489) Show SMILES CCCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C15H19FN2O/c1-2-7-18-8-5-11(6-9-18)15-13-4-3-12(16)10-14(13)19-17-15/h3-4,10-11H,2,5-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401406 (CHEMBL2207496) Show SMILES CCCN1CCC(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C18H23N/c1-2-12-19-13-10-16(11-14-19)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,2,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401417 (CHEMBL2207484) Show SMILES CCCN1CCC(CC1)c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C16H21FN2/c1-2-7-19-8-5-12(6-9-19)15-11-18-16-10-13(17)3-4-14(15)16/h3-4,10-12,18H,2,5-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401410 (CHEMBL2207491) Show SMILES CCCN1CCC(CC1)n1ccc2ccccc12 Show InChI InChI=1S/C16H22N2/c1-2-10-17-11-8-15(9-12-17)18-13-7-14-5-3-4-6-16(14)18/h3-7,13,15H,2,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401416 (CHEMBL2207485) Show SMILES CCCN1CCC(CC1)c1cn(C)c2cc(F)ccc12 Show InChI InChI=1S/C17H23FN2/c1-3-8-20-9-6-13(7-10-20)16-12-19(2)17-11-14(18)4-5-15(16)17/h4-5,11-13H,3,6-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401411 (CHEMBL2207490) Show SMILES CCCN1CCC(CC1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C15H21N3/c1-2-9-18-10-7-12(8-11-18)15-13-5-3-4-6-14(13)16-17-15/h3-6,12H,2,7-11H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401403 (CHEMBL2207493) Show SMILES CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C15H20ClN3O/c1-2-7-18-8-5-12(6-9-18)19-14-4-3-11(16)10-13(14)17-15(19)20/h3-4,10,12H,2,5-9H2,1H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	456	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401404 (CHEMBL2207498) Show SMILES CCCN1CCC(CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C16H21NS/c1-2-9-17-10-7-13(8-11-17)16-12-14-5-3-4-6-15(14)18-16/h3-6,12-13H,2,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	574	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401413 (CHEMBL2207488) Show SMILES CCCN1CCC(CC1)c1coc2ccccc12 Show InChI InChI=1S/C16H21NO/c1-2-9-17-10-7-13(8-11-17)15-12-18-16-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	803	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401405 (CHEMBL2207497) Show SMILES CCCN1CCC(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H23N/c1-2-11-19-12-9-16(10-13-19)18-8-7-15-5-3-4-6-17(15)14-18/h3-8,14,16H,2,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401408 (CHEMBL2207494) Show SMILES CCCN1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O Show InChI InChI=1S/C16H22ClN3O/c1-3-8-19-9-6-13(7-10-19)20-14-5-4-12(17)11-15(14)18(2)16(20)21/h4-5,11,13H,3,6-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401409 (CHEMBL2207492) Show SMILES CCCN1CCC(CC1)n1cnc2ccccc12 Show InChI InChI=1S/C15H21N3/c1-2-9-17-10-7-13(8-11-17)18-12-16-14-5-3-4-6-15(14)18/h3-6,12-13H,2,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401407 (CHEMBL2207495) Show SMILES CCCN1CCC(CC1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H20N2O2/c1-2-9-17-10-7-12(8-11-17)18-14-6-4-3-5-13(14)15(19)16(18)20/h3-6,12H,2,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NeuroSearch Sweden AB Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay				J Med Chem 55: 9735-50 (2012) Article DOI: 10.1021/jm300975f BindingDB Entry DOI: 10.7270/Q26974RR
					More data for this Ligand-Target Pair