Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50020931   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50219137 (7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...) Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CC1 Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19(21)14-18(17)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219142 (3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...) Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	507	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219145 (7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...) Show SMILES CN1CCCc2ccccc2Cc2cc(O)ccc2CC1 Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-17(15)13-18-14-19(21)9-8-16(18)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219148 (3-methoxy-8-methyl-5,6,7,8,9,10,11,16-octahydrodib...) Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCCc2c1 Show InChI InChI=1S/C21H27NO/c1-22-13-5-9-17-7-3-4-8-18(17)15-20-11-12-21(23-2)16-19(20)10-6-14-22/h3-4,7-8,11-12,16H,5-6,9-10,13-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219140 (12-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dib...) Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCCc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-18-15-20(22-2)10-9-19(18)14-17-7-4-3-6-16(17)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219147 (8-methyl-5,6,7,8,9,10,11,16-octahydrodibenzo[e,h]a...) Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1 Show InChI InChI=1S/C20H25NO/c1-21-12-4-8-16-6-2-3-7-17(16)14-19-10-11-20(22)15-18(19)9-5-13-21/h2-3,6-7,10-11,15,22H,4-5,8-9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219138 (7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...) Show SMILES CN1CCCc2cc(O)ccc2Cc2ccccc2CC1 Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-17-14-19(21)9-8-18(17)13-16-6-3-2-5-15(16)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219143 (6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]azacyclound...) Show SMILES Oc1ccc2Cc3ccccc3CCNCCCc2c1 Show InChI InChI=1S/C18H21NO/c20-18-8-7-17-12-15-5-2-1-4-14(15)9-11-19-10-3-6-16(17)13-18/h1-2,4-5,7-8,13,19-20H,3,6,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219146 (2-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,3,4,5-tetr...) Show SMILES COc1ccc(CCN2CCCc3ccccc3C2)cc1Cl Show InChI InChI=1S/C19H22ClNO/c1-22-19-9-8-15(13-18(19)20)10-12-21-11-4-7-16-5-2-3-6-17(16)14-21/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219141 (3-methoxy-6,7,9,10,11,15b-hexahydro-5H-[2]benzazep...) Show SMILES COc1ccc2C3N(CCCc4ccccc34)CCCc2c1 |w:6.16| Show InChI InChI=1S/C20H23NO/c1-22-17-10-11-19-16(14-17)8-5-13-21-12-4-7-15-6-2-3-9-18(15)20(19)21/h2-3,6,9-11,14,20H,4-5,7-8,12-13H2,1H3	PDB UniProtKB/SwissProt 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
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219139 (3-chloro-2-methoxy-5,6,8,9,10,14b-hexahydroisoquin...) Show SMILES COc1cc2C3N(CCc2cc1Cl)CCCc1ccccc31 |w:5.23| Show InChI InChI=1S/C19H20ClNO/c1-22-18-12-16-14(11-17(18)20)8-10-21-9-4-6-13-5-2-3-7-15(13)19(16)21/h2-3,5,7,11-12,19H,4,6,8-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219144 (5,6-dimethoxy-11-methyl-11-aza-tricyclo[13.4.0.0.3...) Show SMILES COc1cc2CCN(C)CCCc3ccccc3Cc2cc1OC Show InChI InChI=1S/C21H27NO2/c1-22-11-6-9-16-7-4-5-8-17(16)13-19-15-21(24-3)20(23-2)14-18(19)10-12-22/h4-5,7-8,14-15H,6,9-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219149 (2-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...) Show SMILES COc1ccc2CCN(C)CCCc3ccccc3Cc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-18(16)14-19-15-20(22-2)10-9-17(19)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 4528-33 (2007) Article DOI: 10.1021/jm070388+ BindingDB Entry DOI: 10.7270/Q2S46RPG
					More data for this Ligand-Target Pair