Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50019350   

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))	BDBM50203821 (CHEMBL374749 | biphenyl-4-carboxylic acid {4-[4-(2...) Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H30ClN3O/c28-25-10-4-5-11-26(25)31-20-18-30(19-21-31)17-7-6-16-29-27(32)24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-21H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50203819 (4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50203820 (4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50203820 (4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2(short) expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50203820 (4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2(long) expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50203819 (4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50203819 (4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2(short) expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50203820 (4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50203819 (4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2(long) expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50203819 (4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50203820 (4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Sus scrofa)	BDBM50203819 (4-(6-fluoropyridin-2-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-9-3-2-8-24(25)32-19-17-31(18-20-32)16-5-4-15-29-27(33)22-13-11-21(12-14-22)23-7-6-10-26(28)30-23/h2-3,6-14H,4-5,15-20H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23990 from porcine dopamine D1 in porcine striatal membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Sus scrofa)	BDBM50203820 (4-(6-fluoropyridin-3-yl)-N-{4-[4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-25-7-3-2-6-24(25)32-18-16-31(17-19-32)15-5-4-14-29-27(33)22-10-8-21(9-11-22)23-12-13-26(28)30-20-23/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23990 from porcine dopamine D1 in porcine striatal membrane				J Med Chem 50: 489-500 (2007) Article DOI: 10.1021/jm0611152 BindingDB Entry DOI: 10.7270/Q2D21X9M
					More data for this Ligand-Target Pair