Compile Data Set for Download or QSAR

Found 15297 hits Enz. Inhib. hit(s) with Target = 'Kallikrein'   

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
Kallikrein-1 (Homo sapiens (Human))	BDBM50034582 (CHEMBL2448441 | Peptide boronate) Show SMILES Br.[H][C@@]12CC3CC(C3(C)C)[C@]1(C)OB(O2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |TLB:11:10:7:5,THB:12:10:7:5,14:2:7:5| Show InChI InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/t26?,27-,28-,29?,30+,31?,37-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity against kallikrein				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50514081 (CHEMBL4471466) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using S2302 as substrate by spectrophotometric method				J Med Chem 59: 6370-86 (2016) Article DOI: 10.1021/acs.jmedchem.6b00606 BindingDB Entry DOI: 10.7270/Q2377D5T
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50514081 (CHEMBL4471466) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using S2302 as substrate by spectrophotometric method				J Med Chem 59: 6370-86 (2016) Article DOI: 10.1021/acs.jmedchem.6b00606 BindingDB Entry DOI: 10.7270/Q2377D5T
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50514081 (CHEMBL4471466) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H42N6O6S/c38-22-28-11-4-10-27(19-28)21-33(35(44)41-23-26-15-17-30(18-16-26)34(39)40)42-36(45)32(14-6-9-25-7-2-1-3-8-25)43-50(48,49)24-29-12-5-13-31(20-29)37(46)47/h1-5,7-8,10-13,15-20,32-33,43H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,42,45)(H,46,47)/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein by Michaelis-menten analysis				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060 BindingDB Entry DOI: 10.7270/Q2VQ361P
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50462133 (CHEMBL4238882) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)Cc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H41N5O6S/c38-23-28-11-4-10-27(19-28)21-33(34(43)22-26-15-17-30(18-16-26)35(39)40)41-36(44)32(14-6-9-25-7-2-1-3-8-25)42-49(47,48)24-29-12-5-13-31(20-29)37(45)46/h1-5,7-8,10-13,15-20,32-33,42H,6,9,14,21-24,38H2,(H3,39,40)(H,41,44)(H,45,46)/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Competitive inhibition of human plasma kallikrein using S2302 as substrate by UV-visible spectrophotometer				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256265 (CHEMBL4089486) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C74H104N20O19S3/c1-36(2)18-49-64(103)88-51(24-44-27-78-35-81-44)66(105)85-48(13-14-59(75)97)63(102)89-52(25-60(98)99)67(106)86-50(19-37(3)4)65(104)93-57(73(112)113)34-116-31-42-21-40-20-41(22-42)30-115-33-56(70(109)87-49)92-62(101)47(12-9-16-79-74(76)77)84-61(100)38(5)82-71(110)58-15-17-94(58)72(111)53(23-43-26-80-46-11-8-7-10-45(43)46)90-68(107)54(28-95)91-69(108)55(32-114-29-40)83-39(6)96/h7-8,10-11,20-22,26-27,35-38,47-58,80,95H,9,12-19,23-25,28-34H2,1-6H3,(H2,75,97)(H,78,81)(H,82,110)(H,83,96)(H,84,100)(H,85,105)(H,86,106)(H,87,109)(H,88,103)(H,89,102)(H,90,107)(H,91,108)(H,92,101)(H,93,104)(H,98,99)(H,112,113)(H4,76,77,79)/t38-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256283 (CHEMBL4079711) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C79H114N22O20S3/c1-38(2)20-52-68(110)94-54(26-47-29-84-37-87-47)70(112)91-51(16-17-62(81)103)67(109)95-55(27-63(104)105)71(113)92-53(21-39(3)4)69(111)100-58(73(115)89-42(7)78(120)121)34-122-31-43-22-44-24-45(23-43)33-124-36-60(74(116)93-52)99-66(108)50(14-10-18-85-79(82)83)90-65(107)41(6)88-76(118)61-15-11-19-101(61)77(119)56(25-46-28-86-49-13-9-8-12-48(46)49)96-72(114)57(30-102)97-75(117)59(35-123-32-44)98-64(106)40(5)80/h8-9,12-13,22-24,28-29,37-42,50-61,86,102H,10-11,14-21,25-27,30-36,80H2,1-7H3,(H2,81,103)(H,84,87)(H,88,118)(H,89,115)(H,90,107)(H,91,112)(H,92,113)(H,93,116)(H,94,110)(H,95,109)(H,96,114)(H,97,117)(H,98,106)(H,99,108)(H,100,111)(H,104,105)(H,120,121)(H4,82,83,85)/t40-,41-,42-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50380619 (CHEMBL2016865) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r| Show InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35(47)33(21-27-10-4-11-28(19-27)23-44-38(41)42)45-36(48)32(14-6-9-25-7-2-1-3-8-25)46-53(51,52)24-29-12-5-13-31(20-29)37(49)50/h1-5,7-8,10-13,15-20,32-33,46H,6,9,14,21-24H2,(H3,39,40)(H,43,47)(H,45,48)(H,49,50)(H4,41,42,44)/t32-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of plasma kallikrein by dixon plot method				J Med Chem 55: 1171-80 (2012) Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50514086 (CHEMBL4524734) Show SMILES NCc1cccc(C[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NS(=O)(=O)Cc2ccccc2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C38H40N6O4S/c39-23-30-10-6-9-28(19-30)21-34(37(45)42-24-26-13-17-32(18-14-26)36(40)41)43-38(46)35(44-49(47,48)25-27-7-2-1-3-8-27)22-29-15-16-31-11-4-5-12-33(31)20-29/h1-20,34-35,44H,21-25,39H2,(H3,40,41)(H,42,45)(H,43,46)/t34-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using S2302 as substrate after 10 mins by UV/Vis photometry				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060 BindingDB Entry DOI: 10.7270/Q2VQ361P
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM417026 ((+-)-1-(3-(aminomethyl)phenyl)-N5-(5-((cyclopropyl...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1)C(N)=O Show InChI InChI=1S/C29H29FN6O2/c30-23-12-11-21(27(33-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)34-29(38)26-15-25(28(32)37)35-36(26)22-8-4-5-19(13-22)16-31/h1-8,11-15,18,27,33H,9-10,16-17,31H2,(H2,32,37)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448390 (1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...) Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448388 (7-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...) Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)c2ncncc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528106 (N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448384 (7-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...) Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM416775 (1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethox...) Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C29H27F3N4O2/c30-29(31,32)26-16-25(36(35-26)24-11-4-6-20(14-24)17-33)28(37)34-23-10-5-9-22(15-23)27(38-18-19-12-13-19)21-7-2-1-3-8-21/h1-11,14-16,19,27H,12-13,17-18,33H2,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448387 (1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...) Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448386 (1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...) Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Kallikrein-4 (Homo sapiens (Human))	BDBM50507481 (CHEMBL4564063) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C142H224N50O46S6/c1-8-68(5)110-136(236)182-81(44-67(3)4)124(224)176-75(24-13-15-37-143)118(218)173-76(25-14-16-38-144)121(221)186-92-62-240-242-64-94-133(233)172-74(26-17-39-155-139(147)148)113(213)161-54-104(203)169-84(47-99(146)198)114(214)162-55-103(202)168-83(46-72-31-33-73(196)34-32-72)125(225)185-91-61-239-244-66-96(189-128(228)87(50-109(210)211)181-130(230)90(60-195)183-127(227)86(49-108(208)209)180-120(220)78(28-19-41-157-141(151)152)174-119(219)77(177-131(92)231)27-18-40-156-140(149)150)138(238)192-43-21-30-97(192)135(235)165-53-101(200)166-70(7)112(212)184-95(134(234)191-111(69(6)9-2)137(237)188-94)65-243-241-63-93(132(232)178-80(35-36-98(145)197)122(222)175-79(123(223)190-110)29-20-42-158-142(153)154)187-126(226)82(45-71-22-11-10-12-23-71)167-102(201)52-159-100(199)51-160-115(215)85(48-107(206)207)179-129(229)89(59-194)171-106(205)56-163-116(216)88(58-193)170-105(204)57-164-117(91)217/h10-12,22-23,31-34,67-70,74-97,110-111,193-196H,8-9,13-21,24-30,35-66,143-144H2,1-7H3,(H2,145,197)(H2,146,198)(H,159,199)(H,160,215)(H,161,213)(H,162,214)(H,163,216)(H,164,217)(H,165,235)(H,166,200)(H,167,201)(H,168,202)(H,169,203)(H,170,204)(H,171,205)(H,172,233)(H,173,218)(H,174,219)(H,175,222)(H,176,224)(H,177,231)(H,178,232)(H,179,229)(H,180,220)(H,181,230)(H,182,236)(H,183,227)(H,184,212)(H,185,225)(H,186,221)(H,187,226)(H,188,237)(H,189,228)(H,190,223)(H,191,234)(H,206,207)(H,208,209)(H,210,211)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t68-,69-,70-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,110-,111-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and...				ACS Med Chem Lett 9: 1258-1262 (2018) Article DOI: 10.1021/acsmedchemlett.8b00422 BindingDB Entry DOI: 10.7270/Q2Q81HCD
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448385 (1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...) Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C)N2CC3CC3C2)nc1C(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448394 (1-[(6-{5-Azaspiro[2.3]hexan-5-yl}-2-methylpyridin-...) Show SMILES COCc1nn(Cc2ccc(nc2C)N2CC3(CC3)C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448393 (7-[(2-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...) Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3C(C2)C3(F)F)c2ncncc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Kallikrein-4 (Homo sapiens (Human))	BDBM50507480 (CHEMBL4543437) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C138H224N48O46S6/c1-10-66(7)107-133(230)175-78(42-64(3)4)121(218)169-72(22-12-15-35-139)115(212)166-73(23-13-16-36-140)118(215)179-88-59-234-236-61-90-128(225)165-71(25-18-38-150-136(144)145)110(207)155-51-99(196)162-80(44-95(143)192)111(208)156-52-98(195)161-79(43-69-29-31-70(190)32-30-69)122(219)178-87-58-233-238-63-92(182-124(221)83(47-105(204)205)174-126(223)86(57-189)176-123(220)82(46-104(202)203)173-117(214)76(27-20-40-152-138(148)149)168-116(213)75(170-127(88)224)26-19-39-151-137(146)147)135(232)186-41-21-28-93(186)131(228)159-50-97(194)160-68(9)109(206)177-91(130(227)185-108(67(8)11-2)134(231)181-90)62-237-235-60-89(129(226)171-77(33-34-94(142)191)119(216)167-74(120(217)184-107)24-14-17-37-141)180-132(229)106(65(5)6)183-102(199)49-153-96(193)48-154-112(209)81(45-103(200)201)172-125(222)85(56-188)164-101(198)53-157-113(210)84(55-187)163-100(197)54-158-114(87)211/h29-32,64-68,71-93,106-108,187-190H,10-28,33-63,139-141H2,1-9H3,(H2,142,191)(H2,143,192)(H,153,193)(H,154,209)(H,155,207)(H,156,208)(H,157,210)(H,158,211)(H,159,228)(H,160,194)(H,161,195)(H,162,196)(H,163,197)(H,164,198)(H,165,225)(H,166,212)(H,167,216)(H,168,213)(H,169,218)(H,170,224)(H,171,226)(H,172,222)(H,173,214)(H,174,223)(H,175,230)(H,176,220)(H,177,206)(H,178,219)(H,179,215)(H,180,229)(H,181,231)(H,182,221)(H,183,199)(H,184,217)(H,185,227)(H,200,201)(H,202,203)(H,204,205)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t66-,67-,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,106-,107-,108-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 University of Queensland Curated by ChEMBL					Assay Description Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and...				ACS Med Chem Lett 9: 1258-1262 (2018) Article DOI: 10.1021/acsmedchemlett.8b00422 BindingDB Entry DOI: 10.7270/Q2Q81HCD
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256264 (CHEMBL4099333) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C75H106N20O19S3/c1-37(2)19-50-65(104)89-52(25-45-28-79-36-82-45)67(106)86-49(14-15-60(76)98)64(103)90-53(26-61(99)100)68(107)87-51(20-38(3)4)66(105)94-58(74(113)114)35-117-32-43-22-41-21-42(23-43)31-116-34-57(71(110)88-50)93-63(102)48(13-9-10-17-80-75(77)78)85-62(101)39(5)83-72(111)59-16-18-95(59)73(112)54(24-44-27-81-47-12-8-7-11-46(44)47)91-69(108)55(29-96)92-70(109)56(33-115-30-41)84-40(6)97/h7-8,11-12,21-23,27-28,36-39,48-59,81,96H,9-10,13-20,24-26,29-35H2,1-6H3,(H2,76,98)(H,79,82)(H,83,111)(H,84,97)(H,85,101)(H,86,106)(H,87,107)(H,88,110)(H,89,104)(H,90,103)(H,91,108)(H,92,109)(H,93,102)(H,94,105)(H,99,100)(H,113,114)(H4,77,78,80)/t39-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256277 (CHEMBL4093698) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C75H106N20O19S3/c1-37(2)19-50-65(104)89-52(25-45-28-79-36-82-45)67(106)86-49(15-16-60(76)98)64(103)90-53(26-61(99)100)68(107)87-51(20-38(3)4)66(105)94-58(74(113)114)35-117-32-43-22-41-21-42(23-43)31-116-34-57(71(110)88-50)93-63(102)48(13-9-17-80-75(77)78)85-62(101)39(5)83-72(111)59-14-10-18-95(59)73(112)54(24-44-27-81-47-12-8-7-11-46(44)47)91-69(108)55(29-96)92-70(109)56(33-115-30-41)84-40(6)97/h7-8,11-12,21-23,27-28,36-39,48-59,81,96H,9-10,13-20,24-26,29-35H2,1-6H3,(H2,76,98)(H,79,82)(H,83,111)(H,84,97)(H,85,101)(H,86,106)(H,87,107)(H,88,110)(H,89,104)(H,90,103)(H,91,108)(H,92,109)(H,93,102)(H,94,105)(H,99,100)(H,113,114)(H4,77,78,80)/t39-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528123 (N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methy...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357210 (US10214512, Example 151-a) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](C[C@H](C)CCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)ccc(Cl)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM455297 (US10730874, Compound TABLE II.2 | US11180484, Exam...) Show SMILES COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI InChI=1S/C25H28FN9O3/c1-37-15-20-19(14-34(30-20)13-17-5-8-23(27-11-17)33-9-3-4-10-33)25(36)28-12-18-21(35-16-29-31-32-35)6-7-22(38-2)24(18)26/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,28,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Prostate-specific antigen (Homo sapiens (Human))	BDBM50298756 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C32H55BN6O10/c1-20(2)15-24(29(43)38-27(33(47)48)16-21(3)4)36-28(42)23(13-9-10-14-34)35-30(44)25(17-40)37-31(45)26(18-41)39(5)32(46)49-19-22-11-7-6-8-12-22/h6-8,11-12,20-21,23-27,40-41,47-48H,9-10,13-19,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)/t23-,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448392 (1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...) Show SMILES COc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357151 ((Z)-5-(3-Chloro-2,6-difluorophenyl)-2-(15-chloro-2...) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)C(CCCCC(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)ccc(Cl)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256286 (CHEMBL4076199) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C79H109N19O20S3/c1-41(2)23-53-68(107)91-56(30-49-32-83-40-85-49)71(110)88-52(18-19-64(80)102)67(106)92-57(31-65(103)104)72(111)89-54(24-42(3)4)69(108)97-62(78(117)118)39-121-36-48-26-46-25-47(27-48)35-120-38-61(75(114)90-53)96-66(105)51(13-9-10-21-84-79(81)82)87-70(109)55(28-45-14-16-50(101)17-15-45)93-76(115)63-20-22-98(63)77(116)58(29-44-11-7-6-8-12-44)94-73(112)59(33-99)95-74(113)60(37-119-34-46)86-43(5)100/h6-8,11-12,14-17,25-27,32,40-42,51-63,99,101H,9-10,13,18-24,28-31,33-39H2,1-5H3,(H2,80,102)(H,83,85)(H,86,100)(H,87,109)(H,88,110)(H,89,111)(H,90,114)(H,91,107)(H,92,106)(H,93,115)(H,94,112)(H,95,113)(H,96,105)(H,97,108)(H,103,104)(H,117,118)(H4,81,82,84)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528127 (US11180484, Example 79 | US11180484, Reference Exa...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357155 ((Z)-5-(3-chloro-2,6-difluorophenyl)-2-(24-((methox...) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)ccc(Cl)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256262 (CHEMBL4070056) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r| Show InChI InChI=1S/C114H161N29O28S3/c1-10-62(4)94-107(166)136-85(101(160)124-63(5)108(167)141(9)53-91(151)140(8)52-90(150)139(7)51-89(149)126-75(22-16-39-122-113(117)118)95(154)128-77(111(170)171)23-17-40-123-114(119)120)59-173-56-70-43-69-44-71(45-70)57-174-60-86(103(162)137-93(61(2)3)106(165)131-79(47-67-27-33-73(147)34-28-67)98(157)132-82(49-68-29-35-74(148)36-30-68)109(168)142-41-18-24-87(142)104(163)130-80(50-92(152)153)99(158)138-94)135-96(155)76(21-14-15-38-121-112(115)116)127-97(156)78(46-66-25-31-72(146)32-26-66)129-105(164)88-37-42-143(88)110(169)81(48-65-19-12-11-13-20-65)133-100(159)83(54-144)134-102(161)84(58-172-55-69)125-64(6)145/h11-13,19-20,25-36,43-45,61-63,75-88,93-94,144,146-148H,10,14-18,21-24,37-42,46-60H2,1-9H3,(H,124,160)(H,125,145)(H,126,149)(H,127,156)(H,128,154)(H,129,164)(H,130,163)(H,131,165)(H,132,157)(H,133,159)(H,134,161)(H,135,155)(H,136,166)(H,137,162)(H,138,158)(H,152,153)(H,170,171)(H4,115,116,121)(H4,117,118,122)(H4,119,120,123)/t62-,63-,75+,76-,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,93-,94-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528105 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357153 ((Z)-5-(3-Chloro-2,6-difluorophenyl)-2-(15-ethyl-24...) Show SMILES CCc1[nH]c2nc1-c1ccc(NC(=O)OC)cc1NC(=O)CCCCC2c1ccc(c[n+]1[O-])-c1c(F)ccc(Cl)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50579244 (Avoralstat | BCX-4161) Show SMILES COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(nc1C(O)=O)C(=O)NCC1CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00511 BindingDB Entry DOI: 10.7270/Q29C7288
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528131 (1-{[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357026 (5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(24-((me...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C32H28ClN7O4/c1-44-32(42)35-24-11-12-25-20-5-4-6-21(15-20)26(7-2-3-8-31(41)36-28(25)17-24)30-13-9-22(18-40(30)43)27-16-23(33)10-14-29(27)39-19-34-37-38-39/h4-6,9-19,26H,2-3,7-8H2,1H3,(H,35,42)(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM357192 (US10214512, Example 145-a) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C3CC3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)c1ccc(c[n+]1[O-])-c1c(F)cccc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM108098 (US8598206, Table 6, 7) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C37H53N7O5S/c38-34(39)30-10-6-28(7-11-30)24-41-35(45)32(14-8-26-16-20-40-21-17-26)42-36(46)33(43-50(48,49)25-29-4-2-1-3-5-29)15-9-27-18-22-44(23-19-27)37(47)31-12-13-31/h1-7,10-11,26-27,31-33,40,43H,8-9,12-25H2,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem.,...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50431213 (CHEMBL2332604) Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-2)c3 |r| Show InChI InChI=1S/C59H82N16O15S3/c1-32-50(82)70-39(21-33-10-12-37(76)13-11-33)53(85)71-41(52(84)66-25-49(80)81)30-92-27-35-18-34-19-36(20-35)28-93-31-42(57(89)75-17-5-9-45(75)58(90)74-16-4-7-43(74)54(86)67-32)72-55(87)44-8-3-15-73(44)56(88)38(6-2-14-63-59(61)62)68-48(79)24-64-47(78)23-65-51(83)40(29-91-26-34)69-46(77)22-60/h10-13,18-20,32,38-45,76H,2-9,14-17,21-31,60H2,1H3,(H,64,78)(H,65,83)(H,66,84)(H,67,86)(H,68,79)(H,69,77)(H,70,82)(H,71,85)(H,72,87)(H,80,81)(H4,61,62,63)/t32-,38?,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne EPFL Curated by ChEMBL					Assay Description Inhibition of human recombinant polyhistidine-tagged plasma kallikrein expressed in Escherichia coli XL1 blue using Z-FR-AMC as substrate by fluorime...				J Med Chem 56: 3742-6 (2013) Article DOI: 10.1021/jm400236j BindingDB Entry DOI: 10.7270/Q2GX4CXF
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528119 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	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 (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM108098 (US8598206, Table 6, 7) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C37H53N7O5S/c38-34(39)30-10-6-28(7-11-30)24-41-35(45)32(14-8-26-16-20-40-21-17-26)42-36(46)33(43-50(48,49)25-29-4-2-1-3-5-29)15-9-27-18-22-44(23-19-27)37(47)31-12-13-31/h1-7,10-11,26-27,31-33,40,43H,8-9,12-25H2,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using S2302 as substrate				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060 BindingDB Entry DOI: 10.7270/Q2VQ361P
					More data for this Ligand-Target Pair
Kallikrein-4 (Homo sapiens (Human))	BDBM50507486 (CHEMBL4566258) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C138H223N49O45S6/c1-10-66(7)106-131(229)175-77(42-64(3)4)119(217)169-72(22-12-14-34-139)114(212)167-73(23-13-15-35-140)117(215)179-87-59-234-235-60-88-126(224)166-71(24-16-36-150-135(142)143)109(207)156-51-98(196)163-79(44-94(141)192)110(208)157-52-97(195)162-78(43-69-30-32-70(191)33-31-69)120(218)178-86-58-233-237-62-90(181-122(220)82(47-104(204)205)174-124(222)85(57-190)176-121(219)81(46-103(202)203)173-116(214)75(26-18-38-152-137(146)147)168-115(213)74(170-125(87)223)25-17-37-151-136(144)145)133(231)186-40-20-28-92(186)128(226)160-50-96(194)161-68(9)108(206)177-89(127(225)185-107(67(8)11-2)132(230)180-88)61-236-238-63-91(134(232)187-41-21-29-93(187)129(227)171-76(118(216)184-106)27-19-39-153-138(148)149)182-130(228)105(65(5)6)183-101(199)49-154-95(193)48-155-111(209)80(45-102(200)201)172-123(221)84(56-189)165-100(198)53-158-112(210)83(55-188)164-99(197)54-159-113(86)211/h30-33,64-68,71-93,105-107,188-191H,10-29,34-63,139-140H2,1-9H3,(H2,141,192)(H,154,193)(H,155,209)(H,156,207)(H,157,208)(H,158,210)(H,159,211)(H,160,226)(H,161,194)(H,162,195)(H,163,196)(H,164,197)(H,165,198)(H,166,224)(H,167,212)(H,168,213)(H,169,217)(H,170,223)(H,171,227)(H,172,221)(H,173,214)(H,174,222)(H,175,229)(H,176,219)(H,177,206)(H,178,218)(H,179,215)(H,180,230)(H,181,220)(H,182,228)(H,183,199)(H,184,216)(H,185,225)(H,200,201)(H,202,203)(H,204,205)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)(H4,148,149,153)/t66-,67-,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,105-,106-,107-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and...				ACS Med Chem Lett 9: 1258-1262 (2018) Article DOI: 10.1021/acsmedchemlett.8b00422 BindingDB Entry DOI: 10.7270/Q2Q81HCD
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448395 (7-[(2-{3-Azabicyclo[3.1.0]hexan-3-yl}-4-methyl- | ...) Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)c2ncncc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448391 (1-[(6-{3-Azabicyclo[3.1.0]hexan-3-yl}-2-methyl- | ...) Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c(C)n[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423171 (US10501440, Example 3) Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r| Show InChI InChI=1S/C25H29N7O/c1-14-16(3-6-23(28-14)31-10-17-9-18(17)11-31)12-32-13-21(15(2)30-32)25(33)29-22-5-4-20-19(22)7-8-27-24(20)26/h3,6-8,13,17-18,22H,4-5,9-12H2,1-2H3,(H2,26,27)(H,29,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423183 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES COc1ccc(CNc2nccc3[C@@H](CCc23)NC(=O)c2cnn(Cc3ccc(nc3C)N3C[C@H]4[C@@H](C3)[C@H]4C#N)c2)c(OC)c1 |r| Show InChI InChI=1S/C34H36N8O3/c1-20-22(5-9-32(39-20)41-18-28-27(13-35)29(28)19-41)16-42-17-23(15-38-42)34(43)40-30-8-7-26-25(30)10-11-36-33(26)37-14-21-4-6-24(44-2)12-31(21)45-3/h4-6,9-12,15,17,27-30H,7-8,14,16,18-19H2,1-3H3,(H,36,37)(H,40,43)/t27-,28+,29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM448377 (1-[(6-{6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl}...) Show SMILES Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 f...				US Patent US10695334 (2020) BindingDB Entry DOI: 10.7270/Q2VT1W4K
					More data for this Ligand-Target Pair

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