Compile Data Set for Download or QSAR

Found 647 hits with Last Name = 'namoto' and Initial = 'k'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50122294 (CHEMBL292092 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-(...) Show SMILES COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50266889 (CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50312840 (CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1 Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to rat brain CB2 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50163592 ((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...) Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)| Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to mGluR1				Bioorg Med Chem 19: 102-10 (2011) Article DOI: 10.1016/j.bmc.2010.11.048 BindingDB Entry DOI: 10.7270/Q21R6QSS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301822 (5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to mGluR1				Bioorg Med Chem 19: 102-10 (2011) Article DOI: 10.1016/j.bmc.2010.11.048 BindingDB Entry DOI: 10.7270/Q21R6QSS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50266861 (CHEMBL515622 | N-benzyl-N-ethyl-2-(7-(2-fluoroethy...) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1 Show InChI InChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50266863 (CHEMBL476811 | N-benzyl-N-(2-fluoroethyl)-2-(7-met...) Show SMILES Cn1c2cnc(nc2n(CC(=O)N(CCF)Cc2ccccc2)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H22FN5O2/c1-27-19-14-25-21(18-10-6-3-7-11-18)26-22(19)29(23(27)31)16-20(30)28(13-12-24)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50266889 (CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting				J Med Chem 54: 6040-9 (2011) Article DOI: 10.1021/jm200516a BindingDB Entry DOI: 10.7270/Q2C53N16
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50054139 ((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...) Show SMILES CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting				J Med Chem 54: 6040-9 (2011) Article DOI: 10.1021/jm200516a BindingDB Entry DOI: 10.7270/Q2C53N16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50333368 (CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...) Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to mGluR1				Bioorg Med Chem 19: 102-10 (2011) Article DOI: 10.1016/j.bmc.2010.11.048 BindingDB Entry DOI: 10.7270/Q21R6QSS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50266862 (CHEMBL476607 | N-benzyl-2-(7-(2-fluoroethyl)-8-oxo...) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H22FN5O2/c1-27(15-17-8-4-2-5-9-17)20(30)16-29-22-19(28(13-12-24)23(29)31)14-25-21(26-22)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50312841 (CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to rat brain CB2 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273942 (4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10| Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to mGluR1				Bioorg Med Chem 19: 102-10 (2011) Article DOI: 10.1016/j.bmc.2010.11.048 BindingDB Entry DOI: 10.7270/Q21R6QSS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312838 (CHEMBL1081623 | SCH-225336 | [11C]N-(1-(4-(4-metho...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)NS(C)(=O)=O Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50333371 (CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...) Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to mGluR1				Bioorg Med Chem 19: 102-10 (2011) Article DOI: 10.1016/j.bmc.2010.11.048 BindingDB Entry DOI: 10.7270/Q21R6QSS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50401000 (CHEMBL2206282) Show SMILES CCN(Cc1ccncc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O2/c1-3-27(14-16-9-11-23-12-10-16)19(29)15-28-21-18(26(2)22(28)30)13-24-20(25-21)17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting				J Med Chem 54: 6040-9 (2011) Article DOI: 10.1021/jm200516a BindingDB Entry DOI: 10.7270/Q2C53N16
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312837 (CHEMBL1081610 | [11C]8-butoxy-N-cyclohexyl-7-metho...) Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 Show InChI InChI=1S/C21H28N2O4/c1-3-4-12-27-19-17(26-2)11-10-14-13-16(21(25)23-18(14)19)20(24)22-15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50400999 (CHEMBL2206283) Show SMILES CCN(Cc1cccnc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O2/c1-3-27(14-16-8-7-11-23-12-16)19(29)15-28-21-18(26(2)22(28)30)13-24-20(25-21)17-9-5-4-6-10-17/h4-13H,3,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting				J Med Chem 54: 6040-9 (2011) Article DOI: 10.1021/jm200516a BindingDB Entry DOI: 10.7270/Q2C53N16
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312839 (CHEMBL1081622 | [18F]8-butoxy-N-cyclohexyl-7-(2-fl...) Show SMILES CCCCOc1c(OCCF)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 Show InChI InChI=1S/C22H29FN2O4/c1-2-3-12-29-20-18(28-13-11-23)10-9-15-14-17(22(27)25-19(15)20)21(26)24-16-7-5-4-6-8-16/h9-10,14,16H,2-8,11-13H2,1H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50400998 (CHEMBL2206284) Show SMILES CN(Cc1cccnc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C21H20N6O2/c1-25(13-15-7-6-10-22-11-15)18(28)14-27-20-17(26(2)21(27)29)12-23-19(24-20)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting				J Med Chem 54: 6040-9 (2011) Article DOI: 10.1021/jm200516a BindingDB Entry DOI: 10.7270/Q2C53N16
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312841 (CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312840 (CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1 Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				Bioorg Med Chem Lett 20: 1565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.074 BindingDB Entry DOI: 10.7270/Q2N29X34
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212110 (US9290485, 142) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Show InChI InChI=1S/C25H26N6O2/c1-17-11-23(26)29-18(2)22(17)13-27-25(33)21-12-28-31(16-21)15-20-8-6-19(7-9-20)14-30-10-4-3-5-24(30)32/h3-12,16H,13-15H2,1-2H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0224	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212116 (US9290485, 148) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C24H28N8O/c1-15-9-23(25)27-18(4)21(15)11-26-24(33)22-14-31(30-28-22)12-19-5-7-20(8-6-19)13-32-17(3)10-16(2)29-32/h5-10,14H,11-13H2,1-4H3,(H2,25,27)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212114 (US9290485, 146) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)c1 Show InChI InChI=1S/C24H27N7O/c1-16-9-27-30(12-16)13-19-4-6-20(7-5-19)14-31-15-21(10-28-31)24(32)26-11-22-17(2)8-23(25)29-18(22)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,25,29)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211977 (US9290485, 9) Show SMILES COc1cc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)ccc1Cn1cccn1 Show InChI InChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0912	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212136 (US9290485, 168) Show SMILES Cc1cc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C Show InChI InChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM212115 (US9290485, 147) Show SMILES Cc1ccnn1Cc1ccc(Cn2cc(nn2)C(=O)NCc2c(C)cc(N)nc2C)cc1 Show InChI InChI=1S/C23H26N8O/c1-15-10-22(24)27-17(3)20(15)11-25-23(32)21-14-30(29-28-21)12-18-4-6-19(7-5-18)13-31-16(2)8-9-26-31/h4-10,14H,11-13H2,1-3H3,(H2,24,27)(H,25,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212004 (US9290485, 36) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C25H29N7O/c1-16-9-24(26)29-19(4)23(16)12-27-25(33)22-11-28-31(15-22)13-20-5-7-21(8-6-20)14-32-18(3)10-17(2)30-32/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.134	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212134 (US9290485, 166) Show SMILES Cc1c(C)c2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C Show InChI InChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211974 (US9290485, 6) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30/h3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212113 (US9290485, 145) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM212135 (US9290485, 167) Show SMILES Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Show InChI InChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542738 (CHEMBL4637027) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM212141 (US9290485, 173) Show SMILES Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1 Show InChI InChI=1S/C27H29ClN6O3/c1-16-8-24(33-26(36)37-27(3,4)5)32-17(2)22(16)13-30-25(35)20-11-31-34(15-20)14-18-6-7-23-19(9-18)10-21(28)12-29-23/h6-12,15H,13-14H2,1-5H3,(H,30,35)(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364156 (CHEMBL1951432) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3nccc4ccccc34)c(=O)c12 |r| Show InChI InChI=1S/C27H29N7O/c1-18(2)10-13-34-25-24(22(14-28)26(34)32-12-5-7-20(29)15-32)31-17-33(27(25)35)16-23-21-8-4-3-6-19(21)9-11-30-23/h3-4,6,8-11,17,20H,5,7,12-13,15-16,29H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364171 (CHEMBL1951598) Show SMILES [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r| Show InChI InChI=1S/C27H32N6O4/c1-17(2)10-12-32-24-23(21(14-28)25(32)31-11-6-8-19(29)15-31)30(3)27(36)33(26(24)35)16-22(34)18-7-5-9-20(13-18)37-4/h5,7,9-10,13,19H,6,8,11-12,15-16,29H2,1-4H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542731 (CHEMBL4642845) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r| Show InChI InChI=1S/C27H28N2O4/c1-15(2)18-8-19(16-6-7-24-21(11-16)22(28)14-32-24)10-20(9-18)25-13-29-23-5-3-4-17(12-26(30)31)27(23)33-25/h3-11,15,22,25,29H,12-14,28H2,1-2H3,(H,30,31)/t22-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542741 (CHEMBL4647950) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212124 (US9290485, 156) Show SMILES Cc1ccc2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cnc2c1 Show InChI InChI=1S/C22H23N7O/c1-13-4-5-17-8-16(9-24-19(17)6-13)11-29-12-20(27-28-29)22(30)25-10-18-14(2)7-21(23)26-15(18)3/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364158 (CHEMBL1951430) Show SMILES [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1cnc2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r| Show InChI InChI=1S/C26H30N6O3/c1-17(2)9-11-32-24-23(21(13-27)25(32)30-10-5-7-19(28)14-30)29-16-31(26(24)34)15-22(33)18-6-4-8-20(12-18)35-3/h4,6,8-9,12,16,19H,5,7,10-11,14-15,28H2,1-3H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364184 (CHEMBL1951611) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3ncc4ccccc4c3C#N)c(=O)c12 Show InChI InChI=1S/C29H30N8O2/c1-19(2)9-13-36-26-25(23(16-31)27(36)35-12-6-10-32-11-14-35)34(3)29(39)37(28(26)38)18-24-22(15-30)21-8-5-4-7-20(21)17-33-24/h4-5,7-9,17,32H,6,10-14,18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364187 (CHEMBL1951416) Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3ncc4ccccc4c3C#N)c(=O)c12 Show InChI InChI=1S/C28H26N8O2/c1-3-4-13-35-25-24(22(16-30)26(35)34-12-7-10-31-11-14-34)33(2)28(38)36(27(25)37)18-23-21(15-29)20-9-6-5-8-19(20)17-32-23/h5-6,8-9,17,31H,7,10-14,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364173 (CHEMBL1951599) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12 |r| Show InChI InChI=1S/C28H31N7O2/c1-18(2)11-14-34-25-24(22(15-29)26(34)33-13-6-8-20(30)16-33)32(3)28(37)35(27(25)36)17-23-21-9-5-4-7-19(21)10-12-31-23/h4-5,7,9-12,20H,6,8,13-14,16-17,30H2,1-3H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542738 (CHEMBL4637027) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542731 (CHEMBL4642845) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r| Show InChI InChI=1S/C27H28N2O4/c1-15(2)18-8-19(16-6-7-24-21(11-16)22(28)14-32-24)10-20(9-18)25-13-29-23-5-3-4-17(12-26(30)31)27(23)33-25/h3-11,15,22,25,29H,12-14,28H2,1-2H3,(H,30,31)/t22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212109 (US9290485, 141) Show SMILES Cc1cc(=O)n(C)n1Cc1ccc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)cc1 Show InChI InChI=1S/C25H29N7O2/c1-16-9-23(26)29-18(3)22(16)12-27-25(34)21-11-28-31(15-21)13-19-5-7-20(8-6-19)14-32-17(2)10-24(33)30(32)4/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Mus musculus)	BDBM50333367 (6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2ncccc2c1 Show InChI InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Binding affinity to mouse mGluR1				Bioorg Med Chem 19: 102-10 (2011) Article DOI: 10.1016/j.bmc.2010.11.048 BindingDB Entry DOI: 10.7270/Q21R6QSS
					More data for this Ligand-Target Pair

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