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Found 332 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-1 (KLK1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034582
PNG
(CHEMBL2448441 | Peptide boronate)
Show SMILES Br.CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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
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0.00490n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034585
PNG
(CHEMBL285285 | Peptide boronate)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H48BN3O6/c1-39(2)30-24-33(39)40(3)34(25-30)49-41(50-40)35(23-28-16-9-5-10-17-28)43-36(45)32-20-13-21-44(32)37(46)31(22-27-14-7-4-8-15-27)42-38(47)48-26-29-18-11-6-12-19-29/h4-12,14-19,30-35H,13,20-26H2,1-3H3,(H,42,47)(H,43,45)/t30?,31-,32-,33?,34+,35?,40-/m0/s1
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>4.30n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034574
PNG
(CHEMBL288150 | Peptide boronate)
Show SMILES COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C37H50BN3O7/c1-36(2)27-22-30(36)37(3)31(23-27)47-38(48-37)32(18-12-20-45-4)40-33(42)29-17-11-19-41(29)34(43)28(21-25-13-7-5-8-14-25)39-35(44)46-24-26-15-9-6-10-16-26/h5-10,13-16,27-32H,11-12,17-24H2,1-4H3,(H,39,44)(H,40,42)/t27?,28-,29-,30?,31+,32?,37-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50396164
PNG
(CHEMBL2171751)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C42H60N8O9/c1-26(2)23-32(39(56)46-30(37(44)54)19-20-36(52)53)48-41(58)35-18-12-22-50(35)42(59)34(25-29-15-8-5-9-16-29)49-40(57)33(24-28-13-6-4-7-14-28)47-38(55)31(45-27(3)51)17-10-11-21-43/h4-9,13-16,26,30-35H,10-12,17-25,43H2,1-3H3,(H2,44,54)(H,45,51)(H,46,56)(H,47,55)(H,48,58)(H,49,57)(H,52,53)/t30-,31+,32-,33-,34-,35-/m0/s1
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of human KLK1 using Pro-Phe-Arg-MCA as substrate for 2 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034580
PNG
(CHEMBL418050 | Peptide boronate)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C46H52BN3O6/c1-45(2)35-28-37(45)46(3)38(29-35)55-47(56-46)39(27-31-17-8-4-9-18-31)48-42(51)36-25-16-26-50(36)43(52)41(49-44(53)54-30-32-19-10-5-11-20-32)40(33-21-12-6-13-22-33)34-23-14-7-15-24-34/h4-15,17-24,35-41H,16,25-30H2,1-3H3,(H,48,51)(H,49,53)/t35?,36-,37?,38+,39?,41-,46-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034579
PNG
(CHEMBL290577 | Peptide boronate)
Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C38H52BN3O6/c1-7-36(2,3)34(39-47-31-23-27-22-30(37(27,4)5)38(31,6)48-39)41-32(43)29-19-14-20-42(29)33(44)28(21-25-15-10-8-11-16-25)40-35(45)46-24-26-17-12-9-13-18-26/h8-13,15-18,27-31,34H,7,14,19-24H2,1-6H3,(H,40,45)(H,41,43)/t27?,28-,29-,30?,31+,34?,38-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50098591
PNG
(CHEMBL3594305)
Show SMILES Nc1nccc2cc(N[C@@H]3c4ccc(CCCC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12
Show InChI InChI=1/C28H27N5O2/c29-27-24-12-11-23(16-21(24)13-14-30-27)33-26-20-9-7-18(8-10-20)3-2-6-25(34)32-22-5-1-4-19(15-22)17-31-28(26)35/h1,4-5,7-16,26,33H,2-3,6,17H2,(H2,29,30)(H,31,35)(H,32,34)/t26-/s2
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein 1 measured for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147091
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4S/c1-2-32(29,30)22-13-18(14-31-22)21-12-17(24(28)27-19-6-4-3-5-7-19)10-15-8-9-16(23(25)26)11-20(15)21/h3-14H,2H2,1H3,(H3,25,26)(H,27,28)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50071572
PNG
(8-{5-Amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxa...)
Show SMILES COC(=O)C1C(CCc2ccccc2)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n1c(=O)n(Cc1cc(F)ccc1F)c2=O
Show InChI InChI=1S/C40H43F2N7O8/c1-57-38(54)33-27(15-12-24-7-3-2-4-8-24)22-32(48-39(55)47(40(56)49(33)48)23-28-21-29(41)16-17-30(28)42)36(52)46-31(9-5-6-19-43)34(50)37(53)45-20-18-25-10-13-26(14-11-25)35(44)51/h2-4,7-8,10-11,13-14,16-17,21-22,31-33H,5-6,9,12,15,18-20,23,43H2,1H3,(H2,44,51)(H,45,53)(H,46,52)
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21n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Kallikrein


Bioorg Med Chem Lett 8: 2321-6 (1999)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50098597
PNG
(CHEMBL3594312)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)C(Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
Show InChI InChI=1/C32H35N5O4S/c1-32(2,3)42(40,41)27-14-12-24-18-23(27)19-35-31(39)29(21-9-7-20(8-10-21)5-4-6-28(38)36-24)37-25-11-13-26-22(17-25)15-16-34-30(26)33/h7-18,29,37H,4-6,19H2,1-3H3,(H2,33,34)(H,35,39)(H,36,38)
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein 1 measured for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50379838
PNG
(CHEMBL2011750)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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31n/an/an/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 1


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50071563
PNG
(4-(2-{6-amino-2-[7-(3,4-dichlorobenzyl)-13,13-dime...)
Show SMILES CC1(C)C2CC1C1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n3n(C1C2)c(=O)n(Cc1ccc(Cl)c(Cl)c1)c3=O
Show InChI InChI=1S/C37H43Cl2N7O6/c1-37(2)23-16-25(37)24-18-30(46-36(52)44(35(51)45(46)29(24)17-23)19-21-8-11-26(38)27(39)15-21)33(49)43-28(5-3-4-13-40)31(47)34(50)42-14-12-20-6-9-22(10-7-20)32(41)48/h6-11,15,18,23,25,28-30H,3-5,12-14,16-17,19,40H2,1-2H3,(H2,41,48)(H,42,50)(H,43,49)
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31n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Kallikrein


Bioorg Med Chem Lett 8: 2321-6 (1999)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034581
PNG
(CHEMBL36744 | Peptide boronate)
Show SMILES COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H54BN3O7/c1-42(2)32-26-34(42)43(3)35(27-32)53-44(54-43)36(23-15-25-51-4)45-39(48)33-22-14-24-47(33)40(49)38(46-41(50)52-28-29-16-8-5-9-17-29)37(30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-21,32-38H,14-15,22-28H2,1-4H3,(H,45,48)(H,46,50)/t32?,33-,34?,35+,36?,38-,43-/m0/s1
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34n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147093
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30)
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40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157094
PNG
(8-(Pyrimidin-2-ylamino)-6-((E)-styryl)-naphthalene...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C23H19N5/c24-22(25)19-10-9-18-13-17(8-7-16-5-2-1-3-6-16)14-21(20(18)15-19)28-23-26-11-4-12-27-23/h1-15H,(H3,24,25)(H,26,27,28)/b8-7+
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42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50396166
PNG
(CHEMBL2171749)
Show SMILES NCC1CCC(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)CC1
Show InChI InChI=1S/C48H67N15O12/c49-26-30-14-12-29(13-15-30)24-38(60-45(69)37(23-28-7-2-1-3-8-28)59-42(66)32-9-4-5-10-33(32)50)46(70)61-39(27-64)47(71)57-35(11-6-20-56-48(52)53)44(68)58-36(18-19-41(51)65)43(67)55-22-21-54-34-17-16-31(62(72)73)25-40(34)63(74)75/h1-5,7-10,16-17,25,29-30,35-39,54,64H,6,11-15,18-24,26-27,49-50H2,(H2,51,65)(H,55,67)(H,57,71)(H,58,68)(H,59,66)(H,60,69)(H,61,70)(H4,52,53,56)/t29?,30?,35-,36-,37-,38-,39-/m0/s1
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of human KLK1


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157087
PNG
(6-(2-Phenyl-cyclopropyl)-8-(pyrimidin-2-ylamino)-n...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C24H21N5/c25-23(26)17-8-7-16-11-18(20-14-19(20)15-5-2-1-3-6-15)13-22(21(16)12-17)29-24-27-9-4-10-28-24/h1-13,19-20H,14H2,(H3,25,26)(H,27,28,29)
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54n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034573
PNG
(CHEMBL291261 | Peptide boronate)
Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-7-42(2,3)40(45-53-35-27-32-26-34(43(32,4)5)44(35,6)54-45)47-38(49)33-24-17-25-48(33)39(50)37(46-41(51)52-28-29-18-11-8-12-19-29)36(30-20-13-9-14-21-30)31-22-15-10-16-23-31/h8-16,18-23,32-37,40H,7,17,24-28H2,1-6H3,(H,46,51)(H,47,49)/t32?,33-,34?,35+,37-,40?,44-/m0/s1
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>63n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147094
PNG
(6-Carbamimidoyl-4-(5-ethylsulfanyl-furan-3-yl)-nap...)
Show SMILES CCSc1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H21N3O2S/c1-2-30-22-13-18(14-29-22)21-12-17(24(28)27-19-6-4-3-5-7-19)10-15-8-9-16(23(25)26)11-20(15)21/h3-14H,2H2,1H3,(H3,25,26)(H,27,28)
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69n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157084
PNG
(8-Furan-3-yl-6-styryl-naphthalene-2-carboxamidine ...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
Show InChI InChI=1S/C23H18N2O/c24-23(25)19-9-8-18-12-17(7-6-16-4-2-1-3-5-16)13-21(22(18)14-19)20-10-11-26-15-20/h1-15H,(H3,24,25)/b7-6+
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83n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50098599
PNG
(CHEMBL3594310)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
Show InChI InChI=1/C30H31N5O4S/c1-2-40(38,39)26-13-11-23-17-22(26)18-33-30(37)28(20-8-6-19(7-9-20)4-3-5-27(36)34-23)35-24-10-12-25-21(16-24)14-15-32-29(25)31/h6-17,28,35H,2-5,18H2,1H3,(H2,31,32)(H,33,37)(H,34,36)/t28-/s2
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein 1 measured for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50098598
PNG
(CHEMBL3594311)
Show SMILES CC(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
Show InChI InChI=1/C31H33N5O4S/c1-19(2)41(39,40)27-13-11-24-17-23(27)18-34-31(38)29(21-8-6-20(7-9-21)4-3-5-28(37)35-24)36-25-10-12-26-22(16-25)14-15-33-30(26)32/h6-17,19,29,36H,3-5,18H2,1-2H3,(H2,32,33)(H,34,38)(H,35,37)/t29-/s2
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein 1 measured for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50098595
PNG
(CHEMBL3594314)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
Show InChI InChI=1/C31H33N5O4S/c1-3-41(39,40)27-12-10-24-17-23(27)18-34-31(38)29(36-25-9-11-26-21(16-25)13-14-33-30(26)32)22-8-7-20(19(2)15-22)5-4-6-28(37)35-24/h7-17,29,36H,3-6,18H2,1-2H3,(H2,32,33)(H,34,38)(H,35,37)/t29-/s2
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein 1 measured for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147096
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28)
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147096
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28)
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50396165
PNG
(CHEMBL2171750)
Show SMILES NC1CCC(C[C@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)CC1
Show InChI InChI=1S/C26H42N8O5/c27-18-10-8-17(9-11-18)13-20(32-22(36)14-16-5-2-1-3-6-16)24(38)34-21(15-35)25(39)33-19(23(28)37)7-4-12-31-26(29)30/h1-3,5-6,17-21,35H,4,7-15,27H2,(H2,28,37)(H,32,36)(H,33,39)(H,34,38)(H4,29,30,31)/t17?,18?,19-,20-,21-/m0/s1
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110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of human KLK1


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034577
PNG
(CHEMBL291026 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C38H52BN3O6/c1-5-6-9-20-33(39-47-32-24-28-23-31(37(28,2)3)38(32,4)48-39)41-34(43)30-19-14-21-42(30)35(44)29(22-26-15-10-7-11-16-26)40-36(45)46-25-27-17-12-8-13-18-27/h7-8,10-13,15-18,28-33H,5-6,9,14,19-25H2,1-4H3,(H,40,45)(H,41,43)/t28?,29-,30-,31?,32+,33?,38-/m0/s1
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120n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157083
PNG
(6-Phenethyl-8-(pyrimidin-2-ylamino)-naphthalene-2-...)
Show SMILES NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C23H21N5/c24-22(25)19-10-9-18-13-17(8-7-16-5-2-1-3-6-16)14-21(20(18)15-19)28-23-26-11-4-12-27-23/h1-6,9-15H,7-8H2,(H3,24,25)(H,26,27,28)
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156n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034583
PNG
(CHEMBL287918 | Peptide boronate)
Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1
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160n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157092
PNG
(6-[2-(1-Cyclohexyl-3,4-dihydro-isoquinolin-7-yl)-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1
Show InChI InChI=1S/C29H31N3/c30-29(31)24-11-8-20-14-22(10-7-21(20)15-24)25-17-26(25)23-9-6-18-12-13-32-28(27(18)16-23)19-4-2-1-3-5-19/h6-11,14-16,19,25-26H,1-5,12-13,17H2,(H3,30,31)
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206n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147088
PNG
(6-Carbamimidoyl-4-furan-3-yl-naphthalene-2-carboxy...)
Show SMILES NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H17N3O2/c23-21(24)15-7-6-14-10-17(22(26)25-18-4-2-1-3-5-18)12-20(19(14)11-15)16-8-9-27-13-16/h1-13H,(H3,23,24)(H,25,26)
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265n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147088
PNG
(6-Carbamimidoyl-4-furan-3-yl-naphthalene-2-carboxy...)
Show SMILES NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H17N3O2/c23-21(24)15-7-6-14-10-17(22(26)25-18-4-2-1-3-5-18)12-20(19(14)11-15)16-8-9-27-13-16/h1-13H,(H3,23,24)(H,25,26)
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270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157093
PNG
(6-[2-(1-Cyclohexyl-2-methyl-1,2,3,4-tetrahydro-iso...)
Show SMILES CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C30H35N3/c1-33-14-13-19-7-10-24(17-28(19)29(33)20-5-3-2-4-6-20)27-18-26(27)23-11-8-22-16-25(30(31)32)12-9-21(22)15-23/h7-12,15-17,20,26-27,29H,2-6,13-14,18H2,1H3,(H3,31,32)
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295n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157097
PNG
(6-[2-(1-Phenyl-3,4-dihydro-isoquinolin-7-yl)-cyclo...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C29H25N3/c30-29(31)24-11-8-20-14-22(10-7-21(20)15-24)25-17-26(25)23-9-6-18-12-13-32-28(27(18)16-23)19-4-2-1-3-5-19/h1-11,14-16,25-26H,12-13,17H2,(H3,30,31)
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336n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50034576
PNG
(CHEMBL288176 | Peptide boronate)
Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C42H54BN3O6/c1-7-40(2,3)38(43-51-35-25-31-24-34(41(31,4)5)42(35,6)52-43)45-36(47)33-18-13-21-46(33)37(48)32(44-39(49)50-26-27-14-9-8-10-15-27)23-28-19-20-29-16-11-12-17-30(29)22-28/h8-12,14-17,19-20,22,31-35,38H,7,13,18,21,23-26H2,1-6H3,(H,44,49)(H,45,47)/t31?,32-,33-,34?,35+,38?,42-/m0/s1
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370n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against kallikrein


J Med Chem 38: 1511-22 (1995)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157089
PNG
(8-Bromo-6-(2-phenyl-cyclopropyl)-naphthalene-2-car...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H17BrN2/c21-19-10-15(17-11-16(17)12-4-2-1-3-5-12)8-13-6-7-14(20(22)23)9-18(13)19/h1-10,16-17H,11H2,(H3,22,23)
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379n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147084
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES NC(=N)c1ccc2cc(cc(C3CCOC3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H21N3O2/c23-21(24)15-7-6-14-10-17(22(26)25-18-4-2-1-3-5-18)12-20(19(14)11-15)16-8-9-27-13-16/h1-7,10-12,16H,8-9,13H2,(H3,23,24)(H,25,26)
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400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157096
PNG
(6-(2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cycl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)
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525n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157090
PNG
(6-(2-(1-isopropyl-2-methyl-1,2,3,4-tetrahydroisoqu...)
Show SMILES CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)
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576n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50369774
PNG
(SEPIMOSTAT MESYLATE | Sepimostat)
Show SMILES NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1
Show InChI InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)
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610n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against pancreatic kallikrein.


J Med Chem 43: 305-41 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157098
PNG
(6-[2-((S)-1-Isopropyl-3,4-dihydro-isoquinolin-7-yl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)/t22?,23-/m1/s1
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640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50063581
PNG
(CHEMBL3398612)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1/C26H30ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34)/t16-,17-,21-/s2
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650n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of tissue kallikrein (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157086
PNG
(8-Bromo-6-styryl-naphthalene-2-carboxamidine | CHE...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Br)c2c1
Show InChI InChI=1S/C19H15BrN2/c20-18-11-14(7-6-13-4-2-1-3-5-13)10-15-8-9-16(19(21)22)12-17(15)18/h1-12H,(H3,21,22)/b7-6+
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770n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50379837
PNG
(CHEMBL2011749)
Show SMILES NC(=N)c1cc(Br)c(OCCCCCOc2c(Br)cc(cc2Br)C(N)=N)c(Br)c1
Show InChI InChI=1S/C19H20Br4N4O2/c20-12-6-10(18(24)25)7-13(21)16(12)28-4-2-1-3-5-29-17-14(22)8-11(19(26)27)9-15(17)23/h6-9H,1-5H2,(H3,24,25)(H3,26,27)
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810n/an/an/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 1


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157082
PNG
(6-Styryl-naphthalene-2-carboxamidine | CHEMBL18534...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
Show InChI InChI=1S/C19H16N2/c20-19(21)18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-13H,(H3,20,21)/b7-6+
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991n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157099
PNG
(4-Bromo-6-carbamimidoyl-naphthalene-2-carboxylic a...)
Show SMILES NC(=N)c1ccc2cc(cc(Br)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H14BrN3O/c19-16-10-13(18(23)22-14-4-2-1-3-5-14)8-11-6-7-12(17(20)21)9-15(11)16/h1-10H,(H3,20,21)(H,22,23)
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992n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50063583
PNG
(CHEMBL3398644)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1/C28H22Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12H2,(H,33,41)(H,34,35)(H3,31,36,37)/b11-7+/t22-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of tissue kallikrein (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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