Compile Data Set for Download or QSAR

Found 773 hits with Last Name = 'novak' and Initial = 'a'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM263238 (5-amino-1-(4-pyrazol-1-ylmethyl-benzyl)-1h-pyrazol...) Show SMILES Nc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C25H24N8O/c26-23-21-7-6-19(12-20(21)8-10-28-23)13-29-25(34)22-16-33(31-24(22)27)15-18-4-2-17(3-5-18)14-32-11-1-9-30-32/h1-12,16H,13-15H2,(H2,26,28)(H2,27,31)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263258 (3-amino-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(N)n3)cc2)c1 Show InChI InChI=1S/C26H26N8O/c1-17-11-31-33(13-17)14-18-2-4-19(5-3-18)15-34-16-23(25(28)32-34)26(35)30-12-20-6-7-22-21(10-20)8-9-29-24(22)27/h2-11,13,16H,12,14-15H2,1H3,(H2,27,29)(H2,28,32)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263231 (3-cyano-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C#N)cc2)c1 Show InChI InChI=1S/C27H24N8O/c1-18-12-32-34(14-18)15-19-2-4-20(5-3-19)16-35-17-24(25(11-28)33-35)27(36)31-13-21-6-7-23-22(10-21)8-9-30-26(23)29/h2-10,12,14,17H,13,15-16H2,1H3,(H2,29,30)(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263235 (3-(3,5-dimethyl-isoxazol-4-yl)-1-[4-(4-methyl-pyra...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3c(C)noc3C)cc2)c1 |(-10.81,-15.06,;-10.81,-13.52,;-12.06,-12.61,;-11.58,-11.15,;-10.04,-11.15,;-9.14,-9.9,;-7.6,-10.06,;-6.7,-8.82,;-5.17,-8.98,;-4.54,-10.38,;-3.01,-10.55,;-2.1,-9.3,;-2.58,-7.84,;-1.33,-6.93,;-1.33,-5.39,;-2.67,-4.62,;,-4.62,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;-.09,-7.84,;-.56,-9.3,;1.38,-7.36,;1.85,-5.89,;.95,-4.65,;3.39,-5.89,;3.87,-7.36,;2.62,-8.26,;2.62,-9.8,;-5.45,-11.63,;-6.98,-11.47,;-9.56,-12.61,)| Show InChI InChI=1S/C31H30N8O2/c1-19-13-35-38(15-19)16-22-4-6-23(7-5-22)17-39-18-27(29(36-39)28-20(2)37-41-21(28)3)31(40)34-14-24-8-9-26-25(12-24)10-11-33-30(26)32/h4-13,15,18H,14,16-17H2,1-3H3,(H2,32,33)(H,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263298 (1-(4-pyrazol-1-ylmethyl-benzyl)-3-trifluoromethyl-...) Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)cc4)nc3C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F3N7O/c27-26(28,29)23-22(25(37)32-13-19-6-7-21-20(12-19)8-10-31-24(21)30)16-36(34-23)15-18-4-2-17(3-5-18)14-35-11-1-9-33-35/h1-12,16H,13-15H2,(H2,30,31)(H,32,37)	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	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
CTP synthase 2 (Rattus norvegicus)	CHEMBL5267968 Show SMILES Show InChI	KEGG GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156158 (CHEMBL3781244) Show SMILES CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C35H39N7O3/c1-23-11-13-25(14-12-23)42-32(20-30(40-42)35(2,3)4)39-34(44)37-28-15-16-29(27-10-8-7-9-26(27)28)45-22-24-17-18-36-31(19-24)38-33(43)21-41(5)6/h7-20H,21-22H2,1-6H3,(H,36,38,43)(H2,37,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263229 (3-hydroxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(CO)n3)cc2)c1 Show InChI InChI=1S/C27H27N7O2/c1-18-11-31-33(13-18)14-19-2-4-20(5-3-19)15-34-16-24(25(17-35)32-34)27(36)30-12-21-6-7-23-22(10-21)8-9-29-26(23)28/h2-11,13,16,35H,12,14-15,17H2,1H3,(H2,28,29)(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263259 (3-methoxymethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C28H29N7O2/c1-19-12-32-34(14-19)15-20-3-5-21(6-4-20)16-35-17-25(26(33-35)18-37-2)28(36)31-13-22-7-8-24-23(11-22)9-10-30-27(24)29/h3-12,14,17H,13,15-16,18H2,1-2H3,(H2,29,30)(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.27	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263261 (3-difluoromethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)F)cc2)c1 Show InChI InChI=1S/C27H25F2N7O/c1-17-11-33-35(13-17)14-18-2-4-19(5-3-18)15-36-16-23(24(34-36)25(28)29)27(37)32-12-20-6-7-22-21(10-20)8-9-31-26(22)30/h2-11,13,16,25H,12,14-15H2,1H3,(H2,30,31)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.68	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263221 (3-methyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(C)n3)cc2)c1 Show InChI InChI=1S/C27H27N7O/c1-18-12-31-33(14-18)15-20-3-5-21(6-4-20)16-34-17-25(19(2)32-34)27(35)30-13-22-7-8-24-23(11-22)9-10-29-26(24)28/h3-12,14,17H,13,15-16H2,1-2H3,(H2,28,29)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM206344 (US9260410, 2) Show SMILES CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O3/c1-21-10-12-24(13-11-21)39-31(19-29(38-39)33(3,4)5)37-32(41)36-27-14-15-28(26-9-7-6-8-25(26)27)42-20-23-16-17-34-30(18-23)35-22(2)40/h6-19H,20H2,1-5H3,(H,34,35,40)(H2,36,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156160 (CHEMBL3780667) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CN3CCOCC3)c2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C37H41N7O4/c1-25-9-11-27(12-10-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-13-14-31(29-8-6-5-7-28(29)30)48-24-26-15-16-38-33(21-26)40-35(45)23-43-17-19-47-20-18-43/h5-16,21-22H,17-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156162 (CHEMBL3781245) Show SMILES CSCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C34H36N6O3S/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)43-20-23-16-17-35-30(18-23)37-32(41)21-44-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263248 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C26H25N7O/c1-18-11-30-32(14-18)15-19-2-4-20(5-3-19)16-33-17-23(13-31-33)26(34)29-12-21-6-7-24-22(10-21)8-9-28-25(24)27/h2-11,13-14,17H,12,15-16H2,1H3,(H2,27,28)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263342 (1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...) Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1n[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C26H20ClF3N6O2/c27-18-8-9-21-19(11-18)22(33-32-21)12-31-25(38)20-15-36(34-24(20)26(28,29)30)14-17-6-4-16(5-7-17)13-35-10-2-1-3-23(35)37/h1-11,15H,12-14H2,(H,31,38)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.14	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263224 (3-isopropyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-ben...) Show SMILES CC(C)c1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C29H31N7O/c1-19(2)27-26(29(37)32-14-23-8-9-25-24(12-23)10-11-31-28(25)30)18-36(34-27)17-22-6-4-21(5-7-22)16-35-15-20(3)13-33-35/h4-13,15,18-19H,14,16-17H2,1-3H3,(H2,30,31)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.14	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263253 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifl...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C27H24F3N7O/c1-17-11-34-36(13-17)14-18-2-4-19(5-3-18)15-37-16-23(24(35-37)27(28,29)30)26(38)33-12-20-6-7-22-21(10-20)8-9-32-25(22)31/h2-11,13,16H,12,14-15H2,1H3,(H2,31,32)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.16	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263301 (1-(6-pyrazol-1-ylmethyl-pyridin-3-ylmethyl)-3-trif...) Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)nc4)nc3C(F)(F)F)ccc12 Show InChI InChI=1S/C25H21F3N8O/c26-25(27,28)22-21(24(37)32-11-16-3-5-20-18(10-16)6-8-30-23(20)29)15-36(34-22)13-17-2-4-19(31-12-17)14-35-9-1-7-33-35/h1-10,12,15H,11,13-14H2,(H2,29,30)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.29	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263215 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-imid...) Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C26H25N7O/c1-18-11-31-33(13-18)15-20-4-2-19(3-5-20)14-32-16-24(30-17-32)26(34)29-12-21-6-7-23-22(10-21)8-9-28-25(23)27/h2-11,13,16-17H,12,14-15H2,1H3,(H2,27,28)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263215 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-imid...) Show SMILES Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C26H25N7O/c1-18-11-31-33(13-18)15-20-4-2-19(3-5-20)14-32-16-24(30-17-32)26(34)29-12-21-6-7-23-22(10-21)8-9-28-25(23)27/h2-11,13,16-17H,12,14-15H2,1H3,(H2,27,28)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263223 (3-cyclopropyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-b...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C3CC3)cc2)c1 Show InChI InChI=1S/C29H29N7O/c1-19-13-33-35(15-19)16-20-2-4-21(5-3-20)17-36-18-26(27(34-36)23-7-8-23)29(37)32-14-22-6-9-25-24(12-22)10-11-31-28(25)30/h2-6,9-13,15,18,23H,7-8,14,16-17H2,1H3,(H2,30,31)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263250 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-[1,2...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C25H24N8O/c1-17-11-29-32(13-17)14-18-2-4-19(5-3-18)15-33-16-23(30-31-33)25(34)28-12-20-6-7-22-21(10-20)8-9-27-24(22)26/h2-11,13,16H,12,14-15H2,1H3,(H2,26,27)(H,28,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156129 (CHEMBL3782036) Show SMILES COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C35H38N6O4/c1-23-10-12-25(13-11-23)41-32(20-31(40-41)35(2,3)4)39-34(43)38-28-14-15-30(27-9-7-6-8-26(27)28)45-19-17-24-16-18-36-21-29(24)37-33(42)22-44-5/h6-16,18,20-21H,17,19,22H2,1-5H3,(H,37,42)(H2,38,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263252 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-pheny...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C32H29N7O/c1-22-16-36-38(18-22)19-23-7-9-24(10-8-23)20-39-21-29(30(37-39)26-5-3-2-4-6-26)32(40)35-17-25-11-12-28-27(15-25)13-14-34-31(28)33/h2-16,18,21H,17,19-20H2,1H3,(H2,33,34)(H,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.68	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263213 (1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...) Show SMILES Cc1nc2[nH]ccc2c(C)c1CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F Show InChI InChI=1S/C28H25F3N6O2/c1-17-21-10-11-32-26(21)34-18(2)22(17)13-33-27(39)23-16-37(35-25(23)28(29,30)31)15-20-8-6-19(7-9-20)14-36-12-4-3-5-24(36)38/h3-12,16H,13-15H2,1-2H3,(H,32,34)(H,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.72	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM359614 (N-[(1-Aminoisoquinolin-6-yl)methyl]-({4-[(4-methyl...) Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C28H26N6O/c1-19-13-33-34(17-19)18-21-4-2-20(3-5-21)10-23-12-25(16-30-14-23)28(35)32-15-22-6-7-26-24(11-22)8-9-31-27(26)29/h2-9,11-14,16-17H,10,15,18H2,1H3,(H2,29,31)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89VT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM359614 (N-[(1-Aminoisoquinolin-6-yl)methyl]-({4-[(4-methyl...) Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C28H26N6O/c1-19-13-33-34(17-19)18-21-4-2-20(3-5-21)10-23-12-25(16-30-14-23)28(35)32-15-22-6-7-26-24(11-22)8-9-31-27(26)29/h2-9,11-14,16-17H,10,15,18H2,1H3,(H2,29,31)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US10221161 (2019) BindingDB Entry DOI: 10.7270/Q23B62DG
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263263 (2,5-dimethyl-1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-be...) Show SMILES Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1 Show InChI InChI=1S/C30H29N5O2/c1-20-15-27(30(37)33-17-24-10-11-26-25(16-24)12-13-32-29(26)31)21(2)35(20)19-23-8-6-22(7-9-23)18-34-14-4-3-5-28(34)36/h3-16H,17-19H2,1-2H3,(H2,31,32)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263317 (3-amino-1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-1...) Show SMILES Nc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C24H26N8O/c25-22-19-5-3-16(11-18(19)7-8-27-22)12-29-24(33)20-15-32(30-23(20)26)14-17-4-6-21(28-13-17)31-9-1-2-10-31/h3-8,11,13,15H,1-2,9-10,12,14H2,(H2,25,27)(H2,26,30)(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.15	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263228 (3-cyclobutyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-be...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)C3CCC3)cc2)c1 Show InChI InChI=1S/C30H31N7O/c1-20-14-34-36(16-20)17-21-5-7-22(8-6-21)18-37-19-27(28(35-37)24-3-2-4-24)30(38)33-15-23-9-10-26-25(13-23)11-12-32-29(26)31/h5-14,16,19,24H,2-4,15,17-18H2,1H3,(H2,31,32)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.62	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263262 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-thiop...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)-c3ccsc3)cc2)c1 Show InChI InChI=1S/C30H27N7OS/c1-20-13-34-36(15-20)16-21-2-4-22(5-3-21)17-37-18-27(28(35-37)25-9-11-39-19-25)30(38)33-14-23-6-7-26-24(12-23)8-10-32-29(26)31/h2-13,15,18-19H,14,16-17H2,1H3,(H2,31,32)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.85	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM142597 (US8933228, Ref 1) Show SMILES COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM261344 (1-[4-(2-oxo-2h-pyridin-1-ylmethyl)-benzyl]-3-trifl...) Show SMILES FC(F)(F)c1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C26H21F3N6O2/c27-26(28,29)23-21(25(37)32-13-19-11-20-8-9-30-24(20)31-12-19)16-35(33-23)15-18-6-4-17(5-7-18)14-34-10-2-1-3-22(34)36/h1-12,16H,13-15H2,(H,30,31)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.38	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263281 (1-[6-((s)-3-methyl-pyrrolidin-1-yl)-pyridin-3-ylme...) Show SMILES C[C@H]1CCN(C1)c1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cn1 Show InChI InChI=1S/C26H26F3N7O/c1-16-7-9-35(13-16)22-5-3-18(12-32-22)14-36-15-21(23(34-36)26(27,28)29)25(37)33-11-17-2-4-20-19(10-17)6-8-31-24(20)30/h2-6,8,10,12,15-16H,7,9,11,13-14H2,1H3,(H2,30,31)(H,33,37)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.84	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156133 (CHEMBL3782009) Show SMILES CC(=O)Nc1nccn1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C32H35N7O3/c1-21-10-12-23(13-11-21)39-29(20-28(37-39)32(3,4)5)36-31(41)35-26-14-15-27(25-9-7-6-8-24(25)26)42-19-18-38-17-16-33-30(38)34-22(2)40/h6-17,20H,18-19H2,1-5H3,(H,33,34,40)(H2,35,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156135 (CHEMBL3781413) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(c2)C(=O)NCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C38H43N7O4/c1-26-9-11-28(12-10-26)45-35(24-34(43-45)38(2,3)4)42-37(47)41-31-13-14-33(30-8-6-5-7-29(30)31)49-25-27-15-16-39-32(23-27)36(46)40-17-18-44-19-21-48-22-20-44/h5-16,23-24H,17-22,25H2,1-4H3,(H,40,46)(H2,41,42,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156144 (CHEMBL3781687) Show SMILES CNC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C34H37N7O3/c1-22-10-12-24(13-11-22)41-31(21-29(40-41)34(2,3)4)39-33(43)37-27-14-15-28(26-9-7-6-8-25(26)27)44-19-17-23-16-18-36-30(20-23)38-32(42)35-5/h6-16,18,20-21H,17,19H2,1-5H3,(H2,37,39,43)(H2,35,36,38,42)	PDB MMDB NCI pathway 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263236 (1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-3-morph...) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc5c(N)nccc5c4)c(n3)N3CCOCC3)cc2)c1 Show InChI InChI=1S/C30H32N8O2/c1-21-15-34-37(17-21)18-22-2-4-23(5-3-22)19-38-20-27(29(35-38)36-10-12-40-13-11-36)30(39)33-16-24-6-7-26-25(14-24)8-9-32-28(26)31/h2-9,14-15,17,20H,10-13,16,18-19H2,1H3,(H2,31,32)(H,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.46	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263240 (3-cyclopropyl-1-(5-methoxy-6-pyrrolidin-1-yl-pyrid...) Show SMILES COc1cc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C2CC2)cnc1N1CCCC1 Show InChI InChI=1S/C28H31N7O2/c1-37-24-13-19(15-31-27(24)34-10-2-3-11-34)16-35-17-23(25(33-35)20-5-6-20)28(36)32-14-18-4-7-22-21(12-18)8-9-30-26(22)29/h4,7-9,12-13,15,17,20H,2-3,5-6,10-11,14,16H2,1H3,(H2,29,30)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.31	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM535979 (N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-5-(...) Show SMILES Cc1cnn(Cc2ccc(Cc3cccc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89VT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM359712 (N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-5-(...) Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1 Show InChI InChI=1S/C28H31N5O/c1-19-13-32-33(17-19)18-23-6-4-22(5-7-23)10-25-11-26(15-30-14-25)28(34)31-16-27-20(2)8-24(12-29)9-21(27)3/h4-9,11,13-15,17H,10,12,16,18,29H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.47	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US10221161 (2019) BindingDB Entry DOI: 10.7270/Q23B62DG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156163 (CHEMBL3780832) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CS(C)(=O)=O)c2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C34H36N6O5S/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)45-20-23-16-17-35-30(18-23)37-32(41)21-46(5,43)44/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156128 (CHEMBL3780488) Show SMILES CC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C34H36N6O3/c1-22-10-12-25(13-11-22)40-32(20-31(39-40)34(3,4)5)38-33(42)37-28-14-15-30(27-9-7-6-8-26(27)28)43-19-17-24-16-18-35-21-29(24)36-23(2)41/h6-16,18,20-21H,17,19H2,1-5H3,(H,36,41)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156157 (CHEMBL3781473) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)Cc3ccccc3)c2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C39H38N6O3/c1-26-14-16-29(17-15-26)45-36(24-34(44-45)39(2,3)4)43-38(47)41-32-18-19-33(31-13-9-8-12-30(31)32)48-25-28-20-21-40-35(22-28)42-37(46)23-27-10-6-5-7-11-27/h5-22,24H,23,25H2,1-4H3,(H,40,42,46)(H2,41,43,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263282 (1-[6-((s)-3-fluoro-pyrrolidin-1-yl)-pyridin-3-ylme...) Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CC[C@H](F)C4)nc3C(F)(F)F)ccc12 Show InChI InChI=1S/C25H23F4N7O/c26-18-6-8-35(13-18)21-4-2-16(11-32-21)12-36-14-20(22(34-36)25(27,28)29)24(37)33-10-15-1-3-19-17(9-15)5-7-31-23(19)30/h1-5,7,9,11,14,18H,6,8,10,12-13H2,(H2,30,31)(H,33,37)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.61	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263239 (1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-3-trifluo...) Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(nc4)N4CCCC4)nc3C(F)(F)F)ccc12 Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)22-20(24(36)32-12-16-3-5-19-18(11-16)7-8-30-23(19)29)15-35(33-22)14-17-4-6-21(31-13-17)34-9-1-2-10-34/h3-8,11,13,15H,1-2,9-10,12,14H2,(H2,29,30)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.66	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263286 (1-(2-pyrrolidin-1-yl-pyrimidin-5-ylmethyl)-3-trifl...) Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(nc4)N4CCCC4)nc3C(F)(F)F)ccc12 Show InChI InChI=1S/C24H23F3N8O/c25-24(26,27)20-19(22(36)30-10-15-3-4-18-17(9-15)5-6-29-21(18)28)14-35(33-20)13-16-11-31-23(32-12-16)34-7-1-2-8-34/h3-6,9,11-12,14H,1-2,7-8,10,13H2,(H2,28,29)(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156126 (CHEMBL3780111) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2N)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H34N6O2/c1-21-9-11-23(12-10-21)38-30(19-29(37-38)32(2,3)4)36-31(39)35-27-13-14-28(25-8-6-5-7-24(25)27)40-18-16-22-15-17-34-20-26(22)33/h5-15,17,19-20H,16,18,33H2,1-4H3,(H2,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156127 (CHEMBL3781430) Show SMILES CC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C34H36N6O3/c1-22-10-12-25(13-11-22)40-32(21-30(39-40)34(3,4)5)38-33(42)37-28-14-15-29(27-9-7-6-8-26(27)28)43-19-17-24-16-18-35-31(20-24)36-23(2)41/h6-16,18,20-21H,17,19H2,1-5H3,(H,35,36,41)(H2,37,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) Article DOI: 10.1021/acs.jmedchem.5b01029 BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair

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