Compile Data Set for Download or QSAR

Found 397 hits with Last Name = 'coccone' and Initial = 'ss'   

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))	BDBM50265775 (CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265375 (CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...) Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265445 (3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...) Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265776 (CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...) Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50131930 (5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265759 (CHEMBL497604 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1 Show InChI InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081973 (4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxal...) Show SMILES CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12 Show InChI InChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]zacopride from 5HT3 receptor in rat cortex				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258431 (CHEMBL523716 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...) Show SMILES ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C17H19FN6O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-24(14)15)23-8-6-22(7-9-23)11-16(19)21-25/h1-5,10,25H,6-9,11H2,(H2,19,21)	PDB KEGG UniProtKB/SwissProt 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50060688 (7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50081969 (9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12 Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]zacopride from 5HT3 receptor in rat cortex				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258495 ((R)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...) Show SMILES N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r| Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50265253 ((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C26H29N5O/c27-21(15-17-16-30-22-10-4-1-7-18(17)22)26(32)29-14-13-28-25-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)25/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,27H2,(H,28,31)(H,29,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM8971 (CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...) Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50265256 ((S)-1-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethy...) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1CCCN1CCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C38H48N6O/c45-38(41-23-11-1-10-22-39-36-27-13-2-6-17-31(27)42-32-18-7-3-14-28(32)36)35-21-12-25-44(35)26-24-40-37-29-15-4-8-19-33(29)43-34-20-9-5-16-30(34)37/h2,4,6,8,13,15,17,19,35H,1,3,5,7,9-12,14,16,18,20-26H2,(H,39,42)(H,40,43)(H,41,45)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50265252 ((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C31H37N5O3/c1-31(2,3)39-30(38)36-27(18-20-19-34-24-13-7-4-10-21(20)24)29(37)33-17-16-32-28-22-11-5-8-14-25(22)35-26-15-9-6-12-23(26)28/h4-5,7-8,10-11,13-14,19,27,34H,6,9,12,15-18H2,1-3H3,(H,32,35)(H,33,37)(H,36,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258293 (CHEMBL445505 | [4-(7-Hydroxypyrrolo[1,2-a]quinoxal...) Show SMILES OC(=O)CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12 Show InChI InChI=1S/C17H18N4O3/c22-12-3-4-14-13(10-12)18-17(15-2-1-5-21(14)15)20-8-6-19(7-9-20)11-16(23)24/h1-5,10,22H,6-9,11H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258339 (CHEMBL492395 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...) Show SMILES ONC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C17H18FN5O2/c18-12-3-4-14-13(10-12)19-17(15-2-1-5-23(14)15)22-8-6-21(7-9-22)11-16(24)20-25/h1-5,10,25H,6-9,11H2,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50060627 ((S)-2-Amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyr...) Show SMILES N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 cells				J Med Chem 51: 6614-8 (2008) Article DOI: 10.1021/jm800865a BindingDB Entry DOI: 10.7270/Q261117R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258462 ((S)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...) Show SMILES N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r| Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
Glutamate receptor 1 (Rattus norvegicus (Rat))	BDBM50060635 ((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...) Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 expressed in Sf9 cells				J Med Chem 51: 6614-8 (2008) Article DOI: 10.1021/jm800865a BindingDB Entry DOI: 10.7270/Q261117R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258428 (CHEMBL523042 | [4-(9-Methylpyrrolo[1,2-a]quinoxali...) Show SMILES Cc1cccc2nc(N3CCN(CC(=O)NO)CC3)c3cccn3c12 Show InChI InChI=1S/C18H21N5O2/c1-13-4-2-5-14-17(13)23-7-3-6-15(23)18(19-14)22-10-8-21(9-11-22)12-16(24)20-25/h2-7,25H,8-12H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265374 (CHEMBL497574 | N-[4-[4-(2,4-Dichlorophenyl)piperaz...) Show SMILES Clc1ccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c(Cl)c1 Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-8-23(21(27)18-20)29-13-11-28(12-14-29)9-3-4-10-30-15-16-31-22-6-2-1-5-19(22)17-24(31)25(30)32/h1-2,5-8,17-18H,3-4,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258432 (7-Fluoro-4-[4-(4H-[1,2,4]triazol-3-ylmethyl)-piper...) Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3nnc[nH]3)CC1)c1cccn21 Show InChI InChI=1S/C18H18FN7/c19-13-3-4-15-14(10-13)22-18(16-2-1-5-26(15)16)25-8-6-24(7-9-25)11-17-20-12-21-23-17/h1-5,10,12H,6-9,11H2,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265373 (CHEMBL497573 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C#N)CCn2c1cc1ccccc21 Show InChI InChI=1S/C26H29N5O/c27-20-21-6-5-8-23(18-21)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-24-9-2-1-7-22(24)19-25(31)26(30)32/h1-2,5-9,18-19H,3-4,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50349983 (CHEMBL1812596) Show SMILES N[C@@H](Cn1c2cscc2c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C9H9N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h2-3,5H,1,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1	PDB UniProtKB/SwissProt 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
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair
Glutamate receptor 2 (Rattus norvegicus)	BDBM50060635 ((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...) Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expressed in Sf9 cells				J Med Chem 51: 6614-8 (2008) Article DOI: 10.1021/jm800865a BindingDB Entry DOI: 10.7270/Q261117R
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50265390 (7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butylox...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265376 (CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...) Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50265775 (CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt 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
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50252920 ((S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno...) Show SMILES N[C@@H](Cn1c2CSCc2c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C9H11N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50252922 ((S)-1-(2'-Amino-2'-carboxyethyl)thieno[3,2-d]pyrim...) Show SMILES N[C@@H](Cn1c2ccsc2c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C9H9N3O4S/c10-4(8(14)15)3-12-5-1-2-17-6(5)7(13)11-9(12)16/h1-2,4H,3,10H2,(H,14,15)(H,11,13,16)/t4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50349981 (CHEMBL1812598) Show SMILES N[C@@H](Cn1c2sccc2c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C9H9N3O4S/c10-5(8(14)15)3-12-7-4(1-2-17-7)6(13)11-9(12)16/h1-2,5H,3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265778 (CHEMBL517730 | N-[4-(1,2,3,4-Tetrahydro-5-methoxy-...) Show SMILES COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18| Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,29H,4-5,11-17H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50265255 ((S)-2-amino-N1,N5-bis(2-(1,2,3,4-tetrahydroacridin...) Show SMILES N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C35H43N7O2/c36-27(35(44)40-22-21-39-34-25-11-3-7-15-30(25)42-31-16-8-4-12-26(31)34)17-18-32(43)37-19-20-38-33-23-9-1-5-13-28(23)41-29-14-6-2-10-24(29)33/h1,3,5,7,9,11,13,15,27H,2,4,6,8,10,12,14,16-22,36H2,(H,37,43)(H,38,41)(H,39,42)(H,40,44)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50265256 ((S)-1-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethy...) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1CCCN1CCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C38H48N6O/c45-38(41-23-11-1-10-22-39-36-27-13-2-6-17-31(27)42-32-18-7-3-14-28(32)36)35-21-12-25-44(35)26-24-40-37-29-15-4-8-19-33(29)43-34-20-9-5-16-30(34)37/h2,4,6,8,13,15,17,19,35H,1,3,5,7,9-12,14,16,18,20-26H2,(H,39,42)(H,40,43)(H,41,45)/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway 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 PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (RAT)	BDBM50258294 (2-[4-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)-piper...) Show SMILES NC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12 Show InChI InChI=1S/C17H18FN5O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-23(14)15)22-8-6-21(7-9-22)11-16(19)24/h1-5,10H,6-9,11H2,(H2,19,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate				J Med Chem 52: 3548-62 (2009) Article DOI: 10.1021/jm900018b BindingDB Entry DOI: 10.7270/Q2M908K7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50265390 (7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butylox...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair

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