Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'danvy' and Initial = 'd'   

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))	BDBM50142788 (CHEMBL3759491) Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C25H29N3O2/c29-24-9-5-8-23(19-24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325758 (CHEMBL1223616 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl Show InChI InChI=1S/C19H24Cl2N4/c20-16-6-5-7-17(19(16)21)25-14-12-24(13-15-25)11-4-3-10-23-18-8-1-2-9-22-18/h1-2,5-9H,3-4,10-15H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50259267 (CHEMBL4099779) Show SMILES COc1cc2CC(C(=O)NCCCCN3CCN(CC3)c3ccccc3F)=C(C)c2cc1OC |t:28| Show InChI InChI=1S/C27H34FN3O3/c1-19-21-18-26(34-3)25(33-2)17-20(21)16-22(19)27(32)29-10-6-7-11-30-12-14-31(15-13-30)24-9-5-4-8-23(24)28/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142790 (CHEMBL3759441) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325753 (CHEMBL1223856 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3cc(ccn3)-c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C25H28Cl2N4/c26-22-9-6-10-23(25(22)27)31-17-15-30(16-18-31)14-5-4-12-28-24-19-21(11-13-29-24)20-7-2-1-3-8-20/h1-3,6-11,13,19H,4-5,12,14-18H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325750 (CHEMBL1223800 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3ccc(cn3)-c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C25H28Cl2N4/c26-22-9-6-10-23(25(22)27)31-17-15-30(16-18-31)14-5-4-13-28-24-12-11-21(19-29-24)20-7-2-1-3-8-20/h1-3,6-12,19H,4-5,13-18H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50325744 (CHEMBL1223683 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl Show InChI InChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325744 (CHEMBL1223683 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl Show InChI InChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119380 (CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142783 (CHEMBL218203) Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142758 (CHEMBL3758881) Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H31N3O/c1-21-8-2-5-11-25(21)29-18-16-28(17-19-29)15-7-6-14-27-26(30)24-13-12-22-9-3-4-10-23(22)20-24/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325754 (4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)pipera...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2cc(ccn2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29F3N4/c27-26(28,29)23-9-6-10-24(20-23)33-17-15-32(16-18-33)14-5-4-12-30-25-19-22(11-13-31-25)21-7-2-1-3-8-21/h1-3,6-11,13,19-20H,4-5,12,14-18H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325757 (CHEMBL1223615 | N-(4-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 Show InChI InChI=1S/C20H28N4O/c1-25-19-9-3-2-8-18(19)24-16-14-23(15-17-24)13-7-6-12-22-20-10-4-5-11-21-20/h2-5,8-11H,6-7,12-17H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142754 (CHEMBL26962) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C22H35N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325748 (CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1 Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325746 (CHEMBL1223748 | N-(4-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-13-25-24-21-9-3-2-8-20(21)12-14-26-24/h2-5,8-12,14H,6-7,13,15-19H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50325748 (CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1 Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50325746 (CHEMBL1223748 | N-(4-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-13-25-24-21-9-3-2-8-20(21)12-14-26-24/h2-5,8-12,14H,6-7,13,15-19H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50122042 (CHEMBL154508 | N-(4-(4-(2,3-dichlorophenyl)piperaz...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-5-9-23(24(22)27)30-16-14-29(15-17-30)13-4-3-12-28-25(31)21-11-10-19-6-1-2-7-20(19)18-21/h1-2,5-11,18H,3-4,12-17H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325751 (5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)pipera...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ccc(cn2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29F3N4/c27-26(28,29)23-9-6-10-24(19-23)33-17-15-32(16-18-33)14-5-4-13-30-25-12-11-22(20-31-25)21-7-2-1-3-8-21/h1-3,6-12,19-20H,4-5,13-18H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142787 (CHEMBL3758711) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H28F3N3O/c27-26(28,29)23-8-5-9-24(19-23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142776 (CHEMBL3759607) Show SMILES Fc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C25H28FN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142794 (CHEMBL3758991) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 Show InChI InChI=1S/C22H29ClN4O2/c1-29-21-10-3-2-9-20(21)27-15-13-26(14-16-27)12-5-4-11-24-22(28)25-19-8-6-7-18(23)17-19/h2-3,6-10,17H,4-5,11-16H2,1H3,(H2,24,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142786 (CHEMBL3758741) Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C Show InChI InChI=1S/C27H33N3O/c1-21-8-7-11-26(22(21)2)30-18-16-29(17-19-30)15-6-5-14-28-27(31)25-13-12-23-9-3-4-10-24(23)20-25/h3-4,7-13,20H,5-6,14-19H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142789 (CHEMBL3759865) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]ccc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O/c32-27(23-11-10-21-6-1-2-7-22(21)20-23)29-13-3-4-15-30-16-18-31(19-17-30)26-9-5-8-25-24(26)12-14-28-25/h1-2,5-12,14,20,28H,3-4,13,15-19H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325752 (CHEMBL1223802 | N-(4-(4-(2-fluorophenyl)piperazin-...) Show SMILES Fc1ccccc1N1CCN(CCCCNc2cc(ccn2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-13-27-25-20-22(12-14-28-25)21-8-2-1-3-9-21/h1-5,8-12,14,20H,6-7,13,15-19H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325745 (CHEMBL1223747 | N-(4-(4-(3-(trifluoromethyl)phenyl...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-12-28-23-11-10-19-6-1-2-9-22(19)29-23/h1-2,5-11,18H,3-4,12-17H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142792 (CHEMBL3758610) Show SMILES CS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H32N4O3S/c1-34(32,33)28-24-9-6-10-25(20-24)30-17-15-29(16-18-30)14-5-4-13-27-26(31)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19-20,28H,4-5,13-18H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Binding affinity to histamine H4 receptor (unknown origin)				Bioorg Med Chem Lett 26: 5263-5266 (2016) Article DOI: 10.1016/j.bmcl.2016.09.049 BindingDB Entry DOI: 10.7270/Q2Q52RMS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50024096 (((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of recombinant human neprilysin(NEP).				Bioorg Med Chem Lett 6: 2437-2440 (1996) Article DOI: 10.1016/0960-894X(96)00448-9 BindingDB Entry DOI: 10.7270/Q2JS9QD0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142753 (CHEMBL3760063) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1 Show InChI InChI=1S/C20H32N4O3/c1-26-19-7-3-2-6-18(19)23-12-10-22(11-13-23)9-5-4-8-21-20(25)24-14-16-27-17-15-24/h2-3,6-7H,4-5,8-17H2,1H3,(H,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142755 (CHEMBL3758913) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1 Show InChI InChI=1S/C23H37N3O2/c1-28-22-12-6-5-11-21(22)26-17-15-25(16-18-26)14-8-7-13-24-23(27)19-20-9-3-2-4-10-20/h5-6,11-12,20H,2-4,7-10,13-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of recombinant human neprilysin(NEP).				Bioorg Med Chem Lett 6: 2437-2440 (1996) Article DOI: 10.1016/0960-894X(96)00448-9 BindingDB Entry DOI: 10.7270/Q2JS9QD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325749 (CHEMBL1223799 | N-(4-(4-(2-fluorophenyl)piperazin-...) Show SMILES Fc1ccccc1N1CCN(CCCCNc2ccc(cn2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-14-27-25-13-12-22(20-28-25)21-8-2-1-3-9-21/h1-5,8-13,20H,6-7,14-19H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259291 (CHEMBL4102970) Show SMILES [O-][N+](=O)c1cccc(c1)C(OCCCc1c[nH]cn1)c1ccccc1 Show InChI InChI=1S/C19H19N3O3/c23-22(24)18-10-4-8-16(12-18)19(15-6-2-1-3-7-15)25-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,19H,5,9,11H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259291 (CHEMBL4102970) Show SMILES [O-][N+](=O)c1cccc(c1)C(OCCCc1c[nH]cn1)c1ccccc1 Show InChI InChI=1S/C19H19N3O3/c23-22(24)18-10-4-8-16(12-18)19(15-6-2-1-3-7-15)25-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,19H,5,9,11H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50259290 (CHEMBL4078910) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cncc(Br)c3)CC2)c1Cl Show InChI InChI=1S/C20H23BrCl2N4O/c21-16-12-15(13-24-14-16)20(28)25-6-1-2-7-26-8-10-27(11-9-26)18-5-3-4-17(22)19(18)23/h3-5,12-14H,1-2,6-11H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259257 (CHEMBL4065099) Show SMILES Ic1ccc(cc1)C(OCCCc1c[nH]cn1)c1ccccc1 Show InChI InChI=1S/C19H19IN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259257 (CHEMBL4065099) Show SMILES Ic1ccc(cc1)C(OCCCc1c[nH]cn1)c1ccccc1 Show InChI InChI=1S/C19H19IN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50325747 (CHEMBL1223749 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl Show InChI InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at D3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325747 (CHEMBL1223749 | N-(4-(4-(2,3-dichlorophenyl)pipera...) Show SMILES Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl Show InChI InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Rennes I Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5376-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.096 BindingDB Entry DOI: 10.7270/Q2TH8MXT
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142791 (CHEMBL3760110) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2[nH]c(=O)[nH]c12)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H29N5O2/c32-25(21-11-10-19-6-1-2-7-20(19)18-21)27-12-3-4-13-30-14-16-31(17-15-30)23-9-5-8-22-24(23)29-26(33)28-22/h1-2,5-11,18H,3-4,12-17H2,(H,27,32)(H2,28,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142793 (CHEMBL3758665) Show SMILES CCOC(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C28H34N4O3/c1-2-35-28(34)30-25-10-7-11-26(21-25)32-18-16-31(17-19-32)15-6-5-14-29-27(33)24-13-12-22-8-3-4-9-23(22)20-24/h3-4,7-13,20-21H,2,5-6,14-19H2,1H3,(H,29,33)(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259258 (CHEMBL4098585) Show SMILES Brc1ccc(cc1)C(OCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H21BrN2O/c24-21-11-9-18(10-12-21)23(27-13-3-6-22-15-25-16-26-22)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14-16,23H,3,6,13H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259258 (CHEMBL4098585) Show SMILES Brc1ccc(cc1)C(OCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H21BrN2O/c24-21-11-9-18(10-12-21)23(27-13-3-6-22-15-25-16-26-22)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14-16,23H,3,6,13H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta s...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of recombinant human neprilysin(NEP).				Bioorg Med Chem Lett 6: 2437-2440 (1996) Article DOI: 10.1016/0960-894X(96)00448-9 BindingDB Entry DOI: 10.7270/Q2JS9QD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142784 (CHEMBL3759513) Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50259268 (CHEMBL4084820) Show SMILES Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1 Show InChI InChI=1S/C21H30N4O/c22-19-7-10-21(24-17-19)23-12-11-18-5-8-20(9-6-18)26-16-4-15-25-13-2-1-3-14-25/h5-10,17H,1-4,11-16,22H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50288076 (((E)-2-Mercaptomethyl-3-phenyl-acryloylamino)-acet...) Show SMILES OC(=O)CNC(=O)C(\CS)=C/c1ccccc1 Show InChI InChI=1S/C12H13NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-6,17H,7-8H2,(H,13,16)(H,14,15)/b10-6-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of recombinant human neprilysin(NEP).				Bioorg Med Chem Lett 6: 2437-2440 (1996) Article DOI: 10.1016/0960-894X(96)00448-9 BindingDB Entry DOI: 10.7270/Q2JS9QD0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50142794 (CHEMBL3758991) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 Show InChI InChI=1S/C22H29ClN4O2/c1-29-21-10-3-2-9-20(21)27-15-13-26(14-16-27)12-5-4-11-24-22(28)25-19-8-6-7-18(23)17-19/h2-3,6-10,17H,4-5,11-16H2,1H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human ADRA1A receptor				Bioorg Med Chem Lett 26: 885-8 (2016) Article DOI: 10.1016/j.bmcl.2015.12.068 BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair

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