Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50035643   

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))	BDBM50025695 (3-Allyl-1-(4-hydroxy-phenyl)-6-methyl-2,3,4,5-tetr...) Show SMILES Cc1c(O)c(O)cc2C(CN(CC=C)CCc12)c1ccc(O)cc1 Show InChI InChI=1S/C20H23NO3/c1-3-9-21-10-8-16-13(2)20(24)19(23)11-17(16)18(12-21)14-4-6-15(22)7-5-14/h3-7,11,18,22-24H,1,8-10,12H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine receptor D2 agonist activity was determined for inhibition of the constrictor response to electrical stimulation in an isolated perfused rab...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50025696 (3-Allyl-6-bromo-1-(4-hydroxy-phenyl)-2,3,4,5-tetra...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12 Show InChI InChI=1S/C19H20BrNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	174	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine receptor D2 agonist activity was determined for inhibition of the constrictor response to electrical stimulation in an isolated perfused rab...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50004918 ((+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50019389 (3-Allyl-6-chloro-1-(4-hydroxy-phenyl)-2,3,4,5-tetr...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(Cl)c(O)c(O)cc12 Show InChI InChI=1S/C19H20ClNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	122	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine receptor D2 agonist activity was determined for inhibition of release of NE in an isolated perfused rabbit ear artery preparation				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025697 (3-Allyl-1-(4-hydroxy-phenyl)-2,3,4,5-tetrahydro-1H...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2cc(O)c(O)cc12 Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-14-10-18(22)19(23)11-16(14)17(12-20)13-3-5-15(21)6-4-13/h2-6,10-11,17,21-23H,1,7-9,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025696 (3-Allyl-6-bromo-1-(4-hydroxy-phenyl)-2,3,4,5-tetra...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12 Show InChI InChI=1S/C19H20BrNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50025698 (3-Allyl-6-fluoro-1-(4-hydroxy-phenyl)-2,3,4,5-tetr...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(F)c(O)c(O)cc12 Show InChI InChI=1S/C19H20FNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	137	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine receptor D2 agonist activity was determined for inhibition of the constrictor response to electrical stimulation in an isolated perfused rab...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50025697 (3-Allyl-1-(4-hydroxy-phenyl)-2,3,4,5-tetrahydro-1H...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2cc(O)c(O)cc12 Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-14-10-18(22)19(23)11-16(14)17(12-20)13-3-5-15(21)6-4-13/h2-6,10-11,17,21-23H,1,7-9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	253	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine receptor D2 agonist activity was determined for inhibition of the constrictor response to electrical stimulation in an isolated perfused rab...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50019389 (3-Allyl-6-chloro-1-(4-hydroxy-phenyl)-2,3,4,5-tetr...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(Cl)c(O)c(O)cc12 Show InChI InChI=1S/C19H20ClNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004918 ((+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine receptor D2 agonist activity was determined for inhibition of the constrictor response to electrical stimulation in an isolated perfused rab...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025695 (3-Allyl-1-(4-hydroxy-phenyl)-6-methyl-2,3,4,5-tetr...) Show SMILES Cc1c(O)c(O)cc2C(CN(CC=C)CCc12)c1ccc(O)cc1 Show InChI InChI=1S/C20H23NO3/c1-3-9-21-10-8-16-13(2)20(24)19(23)11-17(16)18(12-21)14-4-6-15(22)7-5-14/h3-7,11,18,22-24H,1,8-10,12H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025698 (3-Allyl-6-fluoro-1-(4-hydroxy-phenyl)-2,3,4,5-tetr...) Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(F)c(O)c(O)cc12 Show InChI InChI=1S/C19H20FNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...				J Med Chem 30: 35-40 (1987) BindingDB Entry DOI: 10.7270/Q2X92BV6
					More data for this Ligand-Target Pair