Compile Data Set for Download or QSAR

Found 2081 hits with Last Name = 'wood' and Initial = 'l'   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM412656 (US10399974, Example 54) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1)-c1nncn1C |r| Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-27-14-33(23)7)9-10-19(20)30-24-26-13-18-11-15(2)28-22(21(18)31-24)29-16(3)25(4,5)6/h9-14,16H,8H2,1-7H3,(H,28,29)(H,26,30,31)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241208 (US11046688, Example 50 | US9409907, 50) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C Show InChI InChI=1S/C24H29N7O/c1-15-26-13-19(31(15)5)16-7-8-18(20(11-16)32-6)29-23-27-12-17-9-10-25-22(21(17)30-23)28-14-24(2,3)4/h7-13H,14H2,1-6H3,(H,25,28)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50464039 (CHEMBL4245639) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1C Show InChI InChI=1S/C24H28N8O/c1-6-33-19-10-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-11-17-9-15(2)27-22(20(17)29-23)32-12-24(3,4)13-32/h7-11,14H,6,12-13H2,1-5H3,(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241333 (US10479788, Example 177 | US11046688, Example 177 ...) Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C Show InChI InChI=1S/C25H31N7O/c1-15-10-18-12-27-24(31-22(18)23(29-15)28-14-25(3,4)5)30-19-9-8-17(11-21(19)33-7)20-13-26-16(2)32(20)6/h8-13H,14H2,1-7H3,(H,28,29)(H,27,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM412611 (N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nncn1C Show InChI InChI=1S/C26H30N8O2/c1-4-36-21-12-18(23-32-28-16-33(23)3)5-6-20(21)30-25-27-13-19-11-17(2)29-24(22(19)31-25)34-14-26(15-34)7-9-35-10-8-26/h5-6,11-13,16H,4,7-10,14-15H2,1-3H3,(H,27,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241338 (US10479788, Example 182 | US11046688, Example 182 ...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C Show InChI InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50464037 (CHEMBL4240502) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(CCN(C)C)n1C Show InChI InChI=1S/C28H39N9O/c1-9-38-22-15-19(26-35-34-23(37(26)8)12-13-36(6)7)10-11-21(22)32-27-29-16-20-14-18(2)31-25(24(20)33-27)30-17-28(3,4)5/h10-11,14-16H,9,12-13,17H2,1-8H3,(H,30,31)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM412614 (N2-(4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-2-ethox...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(C)n1C Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-31-16(3)33(23)7)9-10-19(20)29-24-26-13-18-11-15(2)28-22(21(18)30-24)27-14-25(4,5)6/h9-13H,8,14H2,1-7H3,(H,27,28)(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241335 (US9409907, 179) Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C Show InChI InChI=1S/C23H28N8O/c1-14-9-16-11-24-22(29-19(16)20(27-14)25-12-23(2,3)4)28-17-8-7-15(10-18(17)32-6)21-30-26-13-31(21)5/h7-11,13H,12H2,1-6H3,(H,25,27)(H,24,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50464040 (CHEMBL4251352) Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12 Show InChI InChI=1S/C25H30N8O/c1-15-11-17-13-26-24(30-21(17)22(28-15)27-14-25(2,3)4)29-18-9-8-16(12-19(18)34-5)23-32-31-20-7-6-10-33(20)23/h8-9,11-13H,6-7,10,14H2,1-5H3,(H,27,28)(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241235 (US10479788, Example 77 | US11046688, Example 77 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM412610 (1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)C#N)c2n1)-c1nncn1C Show InChI InChI=1S/C24H25N9O/c1-5-34-19-9-16(21-31-27-14-32(21)4)6-7-18(19)29-23-26-10-17-8-15(2)28-22(20(17)30-23)33-12-24(3,11-25)13-33/h6-10,14H,5,12-13H2,1-4H3,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104371 (US8575186, 134/183/184 | US8575186, 199 | US857518...) Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104331 (US8575186, 177 | US8575186, 178 | US8575186, 94/16...) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104408 (US8575186, 171/172 | US8575186, 188) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104378 (US8575186, 141) Show SMILES Cc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1csc2ccccc12 |THB:5:6:16:8.9,13:12:16:8.9| Show InChI InChI=1S/C23H22N2O2S2/c1-13-9-15(29(26,27)21-12-28-20-6-4-3-5-16(20)21)11-17-22-18-8-7-14(24-18)10-19(22)25(2)23(13)17/h3-6,9,11-12,14,18,24H,7-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104382 (US8575186, 145) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C23H23N3O3S/c1-26-20-10-14-3-5-19(25-14)22(20)17-11-16(12-21(29-2)23(17)26)30(27,28)15-4-6-18-13(9-15)7-8-24-18/h4,6-9,11-12,14,19,24-25H,3,5,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104467 (US8575186, 230/231 | US8575186, 247) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1cc(C)c2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C24H25N3O3S/c1-14-13-27(20-7-5-4-6-17(14)20)31(28,29)16-11-18-23-19-9-8-15(25-19)10-21(23)26(2)24(18)22(12-16)30-3/h4-7,11-13,15,19,25H,8-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364980 (CHEMBL1950775) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay				Bioorg Med Chem Lett 22: 1494-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.022 BindingDB Entry DOI: 10.7270/Q2RB753Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364980 (CHEMBL1950775) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay				Bioorg Med Chem Lett 22: 1494-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.022 BindingDB Entry DOI: 10.7270/Q2RB753Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104331 (US8575186, 177 | US8575186, 178 | US8575186, 94/16...) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104361 (US8575186, 124) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cc(F)c2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H20FN3O2S/c1-26-19-5-3-14(10-16(19)21-18-4-2-13(25-18)9-20(21)26)29(27,28)15-8-12-6-7-24-22(12)17(23)11-15/h3,5-8,10-11,13,18,24-25H,2,4,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364981 (CHEMBL1950776) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay				Bioorg Med Chem Lett 22: 1494-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.022 BindingDB Entry DOI: 10.7270/Q2RB753Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104371 (US8575186, 134/183/184 | US8575186, 199 | US857518...) Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104477 (US8575186, 240/241 | US8575186, 257) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C23H23N3O3S/c1-25-20-11-15-7-8-18(24-15)22(20)17-12-16(13-21(29-2)23(17)25)30(27,28)26-10-9-14-5-3-4-6-19(14)26/h3-6,9-10,12-13,15,18,24H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364981 (CHEMBL1950776) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay				Bioorg Med Chem Lett 22: 1494-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.022 BindingDB Entry DOI: 10.7270/Q2RB753Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364981 (CHEMBL1950776) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay				Bioorg Med Chem Lett 22: 1494-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.022 BindingDB Entry DOI: 10.7270/Q2RB753Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104408 (US8575186, 171/172 | US8575186, 188) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50364980 (CHEMBL1950775) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay				Bioorg Med Chem Lett 22: 1494-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.022 BindingDB Entry DOI: 10.7270/Q2RB753Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104331 (US8575186, 177 | US8575186, 178 | US8575186, 94/16...) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50464038 (CHEMBL4250961) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12 Show InChI InChI=1S/C26H32N8O/c1-6-35-20-13-17(24-33-32-21-8-7-11-34(21)24)9-10-19(20)30-25-27-14-18-12-16(2)29-23(22(18)31-25)28-15-26(3,4)5/h9-10,12-14H,6-8,11,15H2,1-5H3,(H,28,29)(H,27,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104402 (US8575186, 165/166 | US8575186, 182) Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1 |THB:27:26:25:23.22,17:19:25:23.22| Show InChI InChI=1S/C23H23N3O2S/c1-25-13-22(16-5-3-4-6-19(16)25)29(27,28)15-8-10-20-17(12-15)23-18-9-7-14(24-18)11-21(23)26(20)2/h3-6,8,10,12-14,18,24H,7,9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104321 (US8575186, 250 | US8575186, 251 | US8575186, 84/23...) Show SMILES CCOc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccccc1 |THB:7:8:18:10.11,15:14:18:10.11| Show InChI InChI=1S/C22H24N2O3S/c1-3-27-20-13-16(28(25,26)15-7-5-4-6-8-15)12-17-21-18-10-9-14(23-18)11-19(21)24(2)22(17)20/h4-8,12-14,18,23H,3,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104371 (US8575186, 134/183/184 | US8575186, 199 | US857518...) Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104475 (US8575186, 238/239 | US8575186, 255) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccc(F)cc12 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C23H22FN3O3S/c1-26-20-10-15-5-6-18(25-15)22(20)17-11-16(12-21(30-2)23(17)26)31(28,29)27-8-7-13-3-4-14(24)9-19(13)27/h3-4,7-9,11-12,15,18,25H,5-6,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241226 (US10479788, Example 68 | US11046688, Example 68 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C23H27N7O/c1-23(2,3)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-5)17-12-27-30(4)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104454 (US8575186, 217/218 | US8575186, 234) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccccc1F |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C21H21FN2O3S/c1-24-17-9-12-7-8-16(23-12)20(17)14-10-13(11-18(27-2)21(14)24)28(25,26)19-6-4-3-5-15(19)22/h3-6,10-12,16,23H,7-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104376 (US8575186, 139) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(cc(F)c12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H19FN2O2S2/c1-25-18-8-12-6-7-17(24-12)21(18)15-9-13(10-16(23)22(15)25)29(26,27)20-11-28-19-5-3-2-4-14(19)20/h2-5,9-12,17,24H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104360 (US8575186, 123) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cc(c2[nH]ccc2c1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C23H20F3N3O2S/c1-29-19-5-3-14(10-16(19)21-18-4-2-13(28-18)9-20(21)29)32(30,31)15-8-12-6-7-27-22(12)17(11-15)23(24,25)26/h3,5-8,10-11,13,18,27-28H,2,4,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104302 (US8575186, 203 | US8575186, 204 | US8575186, 65/18...) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(F)cc12 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H20FN3O2S/c1-25-19-7-5-16(12-17(19)22-18-6-4-15(24-18)11-21(22)25)29(27,28)26-9-8-13-2-3-14(23)10-20(13)26/h2-3,5,7-10,12,15,18,24H,4,6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241226 (US10479788, Example 68 | US11046688, Example 68 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C23H27N7O/c1-23(2,3)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-5)17-12-27-30(4)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104430 (US8575186, 193/194 | US8575186, 210) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(Cl)cc12 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H20ClN3O2S/c1-25-19-7-5-16(12-17(19)22-18-6-4-15(24-18)11-21(22)25)29(27,28)26-9-8-13-2-3-14(23)10-20(13)26/h2-3,5,7-10,12,15,18,24H,4,6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104456 (US8575186, 219/220 | US8575186, 236) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1cccc(Cl)c1 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C21H21ClN2O3S/c1-24-18-9-13-6-7-17(23-13)20(18)16-10-15(11-19(27-2)21(16)24)28(25,26)14-5-3-4-12(22)8-14/h3-5,8,10-11,13,17,23H,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104446 (US8575186, 209/215/216 | US8575186, 231 | US857518...) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(cc(O)c12)S(=O)(=O)c1cccc(c1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C21H19F3N2O3S/c1-26-17-8-12-5-6-16(25-12)19(17)15-9-14(10-18(27)20(15)26)30(28,29)13-4-2-3-11(7-13)21(22,23)24/h2-4,7,9-10,12,16,25,27H,5-6,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104462 (US8575186, 225/226 | US8575186, 242) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4C)S(=O)(=O)c1cccc(Cl)c1 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C22H23ClN2O3S/c1-24-14-7-8-18(24)21-17-11-16(29(26,27)15-6-4-5-13(23)9-15)12-20(28-3)22(17)25(2)19(21)10-14/h4-6,9,11-12,14,18H,7-8,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104377 (US8575186, 140) Show SMILES Cc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1cn(C)c2ccccc12 |THB:5:6:16:8.9,13:12:16:8.9| Show InChI InChI=1S/C24H25N3O2S/c1-14-10-16(30(28,29)22-13-26(2)20-7-5-4-6-17(20)22)12-18-23-19-9-8-15(25-19)11-21(23)27(3)24(14)18/h4-7,10,12-13,15,19,25H,8-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104458 (US8575186, 221/222 | US8575186, 238) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1cccc(F)c1 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C21H21FN2O3S/c1-24-18-9-13-6-7-17(23-13)20(18)16-10-15(11-19(27-2)21(16)24)28(25,26)14-5-3-4-12(22)8-14/h3-5,8,10-11,13,17,23H,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104320 (US8575186, 228 | US8575186, 229 | US8575186, 83/21...) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccccc1 |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C21H22N2O3S/c1-23-18-10-13-8-9-17(22-13)20(18)16-11-15(12-19(26-2)21(16)23)27(24,25)14-6-4-3-5-7-14/h3-7,11-13,17,22H,8-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104479 (US8575186, 242/243 | US8575186, 259) Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccc(cc12)[N+]#[C-] |THB:6:7:17:9.10,14:13:17:9.10| Show InChI InChI=1S/C24H22N4O3S/c1-25-15-5-4-14-8-9-28(20(14)10-15)32(29,30)17-12-18-23-19-7-6-16(26-19)11-21(23)27(2)24(18)22(13-17)31-3/h4-5,8-10,12-13,16,19,26H,6-7,11H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM104302 (US8575186, 203 | US8575186, 204 | US8575186, 65/18...) Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(F)cc12 |THB:10:9:8:6.5,1:2:8:6.5| Show InChI InChI=1S/C22H20FN3O2S/c1-25-19-7-5-16(12-17(19)22-18-6-4-15(24-18)11-21(22)25)29(27,28)26-9-8-13-2-3-14(23)10-20(13)26/h2-3,5,7-10,12,15,18,24H,4,6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...				US Patent US8575186 (2013) BindingDB Entry DOI: 10.7270/Q2BR8QTS
					More data for this Ligand-Target Pair

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