Found 1493 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-5' 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-5
(Homo sapiens (Human)) | BDBM50513781
(CHEMBL4466351)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C72H95N19O21S2/c73-55(95)31-45-59(100)78-33-57(97)79-44(28-38-14-18-40(93)19-15-38)62(103)88-50-35-113-114-36-51(66(107)85-47(29-37-8-2-1-3-9-37)69(110)89-25-5-11-52(89)68(109)83-45)87-61(102)43(22-23-58(98)99)81-67(108)53-12-6-26-90(53)71(112)54-13-7-27-91(54)70(111)48(30-39-16-20-41(94)21-17-39)84-64(105)49(34-92)86-60(101)42(10-4-24-77-72(75)76)80-63(104)46(32-56(74)96)82-65(50)106/h1-3,8-9,14-21,42-54,92-94H,4-7,10-13,22-36H2,(H2,73,95)(H2,74,96)(H,78,100)(H,79,97)(H,80,104)(H,81,108)(H,82,106)(H,83,109)(H,84,105)(H,85,107)(H,86,101)(H,87,102)(H,88,103)(H,98,99)(H4,75,76,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.340 | 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 recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513784
(CHEMBL4550494)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C71H93N19O21S2/c72-54(94)29-43-58(99)77-32-56(96)78-42(26-37-14-18-39(92)19-15-37)60(101)86-49-34-112-113-35-50(65(106)84-46(27-36-8-2-1-3-9-36)68(109)88-23-5-11-51(88)66(107)81-43)87-62(103)45(31-57(97)98)82-67(108)52-12-6-24-89(52)70(111)53-13-7-25-90(53)69(110)47(28-38-16-20-40(93)21-17-38)83-63(104)48(33-91)85-59(100)41(10-4-22-76-71(74)75)79-61(102)44(30-55(73)95)80-64(49)105/h1-3,8-9,14-21,41-53,91-93H,4-7,10-13,22-35H2,(H2,72,94)(H2,73,95)(H,77,99)(H,78,96)(H,79,102)(H,80,105)(H,81,107)(H,82,108)(H,83,104)(H,84,106)(H,85,100)(H,86,101)(H,87,103)(H,97,98)(H4,74,75,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.730 | 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 recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598266
(CHEMBL5203652)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)NCC(N)=O |r,wU:103.108,22.21,35.35,164.169,206.214,191.197,182.188,171.177,165.172,wD:138.143,115.121,47.48,26.26,94.99,146.152,155.160,(-10,15.01,;-10,13.47,;-8.67,12.71,;-8.67,11.17,;-7.34,10.39,;-7.34,8.85,;-6,8.09,;-6,6.54,;-4.67,5.77,;-4.67,4.23,;-3.33,3.46,;-3.33,1.92,;-2,1.15,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.77,;2,-7.31,;3.33,-8.09,;3.33,-9.63,;2,-10.39,;.67,-9.63,;.67,-8.09,;-.67,-10.39,;-.67,-11.93,;.67,-12.71,;.67,-14.25,;2,-15.01,;-.67,-15.01,;-2,-9.63,;-3.33,-10.39,;-3.33,-11.93,;-4.67,-9.63,;-4.67,-8.09,;-6,-7.31,;-7.34,-8.08,;-8.66,-7.31,;-8.66,-5.77,;-10,-5.01,;-7.34,-5.01,;-6,-5.77,;-6,-10.39,;-7.34,-9.63,;-6.57,-8.29,;-8.67,-10.39,;-8.67,-11.93,;-7.34,-12.71,;-7.34,-14.25,;-6,-15.01,;-8.67,-15.01,;-10,-9.63,;-11.34,-10.39,;-11.34,-11.93,;-12.67,-9.63,;-14,-10.39,;-15.34,-9.63,;-16.67,-10.39,;-18.01,-9.63,;-19.34,-10.39,;-20.67,-9.63,;-22.01,-10.39,;-23.34,-9.63,;-24.68,-10.39,;-23.34,-8.09,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.69,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22.01,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22.01,-2.7,;4.67,-10.39,;4.67,-11.93,;6,-9.63,;7.33,-10.39,;7.33,-11.93,;8.67,-12.71,;8.67,-14.25,;10,-15.01,;7.33,-15.01,;8.67,-9.63,;8.67,-8.09,;10,-10.39,;11.34,-9.63,;11.34,-8.09,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.39,;12.67,-11.93,;14,-9.63,;15.34,-10.39,;15.34,-11.93,;16.67,-12.71,;16.67,-14.25,;15.34,-15.01,;18,-15.01,;16.67,-9.63,;18,-10.39,;16.67,-8.09,;18,-7.31,;19.34,-8.09,;20.67,-7.31,;22.01,-8.09,;23.34,-7.31,;24.67,-8.09,;26.01,-7.31,;26.01,-5.77,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22.01,-.38,;22.01,1.15,;20.67,1.92,;19.34,1.15,;19.34,-.38,;18,1.92,;16.67,1.15,;15.34,1.92,;15.34,3.46,;14,1.15,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.67,-5.77,;6,-.38,;4.67,-1.15,;6,1.15,;4.67,1.92,;3.33,1.15,;3.33,-.38,;2,1.92,;4.67,3.46,;3.33,4.23,;6,4.23,;6,5.77,;4.67,6.54,;4.67,8.09,;3.33,8.85,;3.33,10.39,;2,11.17,;2,12.71,;.67,10.39,;7.33,6.54,;8.67,5.77,;7.33,8.09,;8.67,8.85,;8.67,10.39,;10,11.17,;10,12.71,;8.67,13.47,;11.34,13.47,;10,8.09,;10,6.54,;11.34,8.85,;12.67,8.09,;14,8.85,;14,10.39,;12.67,11.17,;12.67,12.7,;14.01,13.47,;14.01,15.01,;15.33,12.71,;15.33,11.17,;12.67,6.54,;11.34,5.77,;14,5.77,;15.41,6.4,;16.44,5.26,;15.67,3.92,;14.16,4.24,;12.78,3.42,;11.46,4.21,;12.78,1.88,;23.34,1.92,;23.34,3.46,;24.67,1.15,;26.01,1.92,;27.34,1.15,;28.67,1.92,;27.34,-.38,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598279
(CHEMBL5199103)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](CO)NC2=O)C(O)=O)n1)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598286
(CHEMBL5198215)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598284
(CHEMBL5176455)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598268
(CHEMBL5177587)Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSCc4cccc(CSC[C@@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N5CCC[C@H]5C(=O)N3)n4)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)n2)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50124906
(CHEMBL3623776)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C60H97N19O19S2/c1-7-27(3)43-54(93)71-35-25-99-100-26-36(72-55(94)45(29(5)81)73-42(85)23-66-47(86)32(21-40(61)83)68-52(91)37-14-10-18-77(37)57(96)33(22-41(62)84)69-50(35)89)51(90)76-46(30(6)82)56(95)67-31(13-9-17-65-60(63)64)48(87)70-34(24-80)49(88)75-44(28(4)8-2)59(98)79-20-12-16-39(79)58(97)78-19-11-15-38(78)53(92)74-43/h27-39,43-46,80-82H,7-26H2,1-6H3,(H2,61,83)(H2,62,84)(H,66,86)(H,67,95)(H,68,91)(H,69,89)(H,70,87)(H,71,93)(H,72,94)(H,73,85)(H,74,92)(H,75,88)(H,76,90)(H4,63,64,65)/t27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queensland University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris X33 using Ac-YRSR-pNA by spectrophotometry method |
J Med Chem 58: 8257-68 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01148
BindingDB Entry DOI: 10.7270/Q2PR7XSJ |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598282
(CHEMBL5205331)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513785
(CHEMBL4575658)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C76H97N21O19S2/c77-60(100)32-51-63(104)83-35-61(101)85-49(28-40-10-2-1-3-11-40)66(107)94-55-37-117-118-38-56(70(111)91-53(30-42-33-82-46-13-5-4-12-45(42)46)74(115)95-25-7-15-57(95)72(113)89-51)93-65(106)48(22-23-62(102)103)87-71(112)58-16-8-26-96(58)75(116)59-17-9-27-97(59)73(114)52(29-41-18-20-44(99)21-19-41)90-68(109)54(36-98)92-64(105)47(14-6-24-81-76(78)79)86-67(108)50(88-69(55)110)31-43-34-80-39-84-43/h1-5,10-13,18-21,33-34,39,47-59,82,98-99H,6-9,14-17,22-32,35-38H2,(H2,77,100)(H,80,84)(H,83,104)(H,85,101)(H,86,108)(H,87,112)(H,88,110)(H,89,113)(H,90,109)(H,91,111)(H,92,105)(H,93,106)(H,94,107)(H,102,103)(H4,78,79,81)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | 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 recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598270
(CHEMBL5203034)Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSCc4cccc(CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N5CCC[C@H]5C(=O)N3)n4)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)n2)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598278
(CHEMBL5192991)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)n2)NC(=O)CN |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598283
(CHEMBL5174330)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598280
(CHEMBL5175408)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513783
(CHEMBL4456620)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C74H96N20O19S2/c75-58(97)33-49-61(101)80-35-59(98)82-47(29-40-11-3-1-4-12-40)64(104)91-53-37-114-115-38-54(68(108)88-50(30-41-13-5-2-6-14-41)71(111)92-26-8-16-55(92)70(110)86-49)90-63(103)46(23-24-60(99)100)84-69(109)56-17-9-27-93(56)73(113)57-18-10-28-94(57)72(112)51(31-42-19-21-44(96)22-20-42)87-66(106)52(36-95)89-62(102)45(15-7-25-79-74(76)77)83-65(105)48(85-67(53)107)32-43-34-78-39-81-43/h1-6,11-14,19-22,34,39,45-57,95-96H,7-10,15-18,23-33,35-38H2,(H2,75,97)(H,78,81)(H,80,101)(H,82,98)(H,83,105)(H,84,109)(H,85,107)(H,86,110)(H,87,106)(H,88,108)(H,89,102)(H,90,103)(H,91,104)(H,99,100)(H4,76,77,79)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | 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 recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598281
(CHEMBL5194536)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50125021
(CHEMBL3623779)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C58H92N20O20S2/c1-5-25(2)42-52(93)71-33-23-99-100-24-34(72-53(94)43(26(3)80)73-41(85)21-65-45(86)29(18-38(59)82)67-50(91)35-11-7-15-76(35)55(96)30(19-39(60)83)69-48(33)89)49(90)75-44(27(4)81)54(95)66-28(10-6-14-64-58(62)63)46(87)70-32(22-79)47(88)68-31(20-40(61)84)56(97)78-17-9-13-37(78)57(98)77-16-8-12-36(77)51(92)74-42/h25-37,42-44,79-81H,5-24H2,1-4H3,(H2,59,82)(H2,60,83)(H2,61,84)(H,65,86)(H,66,95)(H,67,91)(H,68,88)(H,69,89)(H,70,87)(H,71,93)(H,72,94)(H,73,85)(H,74,92)(H,75,90)(H4,62,63,64)/t25-,26+,27+,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,42-,43-,44-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queensland University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris X33 using Ac-YRSR-pNA by spectrophotometry method |
J Med Chem 58: 8257-68 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01148
BindingDB Entry DOI: 10.7270/Q2PR7XSJ |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598273
(CHEMBL5194019)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(O)=O)n2)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598269
(CHEMBL5209454)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSCc3cccc(CSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(O)=O)n3)n1)NC(=O)[C@H](C)N)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598274
(CHEMBL5172150)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(O)=O)n2)NC(=O)CN)[C@@H](C)O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598267
(CHEMBL5192120)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)n2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](CC(N)=O)C(O)=O)n2 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513782
(CHEMBL4513520)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C73H94N20O19S2/c74-57(96)31-47-60(100)79-34-58(97)81-45(27-39-11-3-1-4-12-39)62(102)89-52-36-113-114-37-53(67(107)87-49(28-40-13-5-2-6-14-40)70(110)91-24-8-16-54(91)68(108)84-47)90-64(104)48(32-59(98)99)85-69(109)55-17-9-25-92(55)72(112)56-18-10-26-93(56)71(111)50(29-41-19-21-43(95)22-20-41)86-65(105)51(35-94)88-61(101)44(15-7-23-78-73(75)76)82-63(103)46(83-66(52)106)30-42-33-77-38-80-42/h1-6,11-14,19-22,33,38,44-56,94-95H,7-10,15-18,23-32,34-37H2,(H2,74,96)(H,77,80)(H,79,100)(H,81,97)(H,82,103)(H,83,106)(H,84,108)(H,85,109)(H,86,105)(H,87,107)(H,88,101)(H,89,102)(H,90,104)(H,98,99)(H4,75,76,78)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.90 | 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 recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 1... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598276
(CHEMBL5181364)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)n2)NC(=O)CN |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598265
(CHEMBL5172861)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(N)=O |r,wU:22.21,35.35,47.48,154.161,166.174,175.183,103.108,wD:26.26,94.99,134.140,143.148,147.152,190.200,186.194,115.121,(-16.8,16.19,;-16.8,14.65,;-15.47,13.88,;-15.47,12.34,;-14.13,11.57,;-14.13,10.03,;-12.8,9.26,;-12.8,7.72,;-11.46,6.95,;-11.46,5.41,;-10.13,4.64,;-10.13,3.1,;-8.8,2.33,;-8.8,.79,;-7.46,.02,;-7.46,-1.52,;-6.13,-2.29,;-8.8,-2.29,;-8.8,-3.83,;-10.13,-4.6,;-10.13,-6.14,;-8.8,-6.91,;-8.8,-8.45,;-10.13,-9.22,;-11.46,-8.45,;-11.46,-6.91,;-12.8,-9.22,;-12.8,-10.76,;-11.46,-11.53,;-11.46,-13.07,;-10.13,-13.84,;-12.8,-13.84,;-14.13,-8.45,;-15.47,-9.22,;-15.47,-10.76,;-16.8,-8.45,;-16.8,-6.91,;-15.47,-6.14,;-14.13,-6.92,;-12.8,-6.14,;-12.8,-4.61,;-11.47,-3.84,;-14.13,-3.84,;-15.47,-4.6,;-18.13,-9.22,;-19.47,-8.45,;-19.47,-6.91,;-20.8,-9.22,;-22.13,-8.45,;-22.13,-6.91,;-23.47,-6.14,;-23.47,-4.6,;-24.8,-6.91,;-20.8,-10.76,;-22.13,-11.53,;-22.13,-13.07,;-23.47,-10.76,;-24.8,-11.53,;-26.13,-10.76,;-27.47,-11.53,;-28.8,-10.76,;-30.13,-11.53,;-31.47,-10.76,;-32.8,-11.53,;-34.14,-10.76,;-35.47,-11.53,;-34.14,-9.22,;-35.47,-8.45,;-35.47,-6.92,;-34.13,-6.15,;-32.81,-6.91,;-32.81,-8.45,;-31.32,-6.51,;-30.23,-7.6,;-30.92,-5.02,;-34.13,-4.61,;-35.47,-3.84,;-36.79,-4.6,;-38.13,-3.83,;-38.13,-2.3,;-39.46,-1.54,;-36.8,-1.53,;-35.47,-2.3,;-34.13,-1.53,;-32.79,-2.3,;-31.48,-1.52,;-30.14,-2.28,;-28.81,-1.51,;-30.14,-3.81,;-31.45,-4.6,;-32.79,-3.83,;-7.46,-9.22,;-7.46,-10.76,;-6.13,-8.45,;-4.8,-9.22,;-4.8,-10.76,;-3.46,-11.53,;-3.46,-13.07,;-2.13,-13.84,;-4.8,-13.84,;-3.46,-8.45,;-3.46,-6.91,;-2.13,-9.22,;-.8,-8.45,;-.8,-6.91,;.54,-6.14,;1.88,-6.92,;3.2,-6.14,;3.2,-4.61,;4.54,-3.84,;1.87,-3.84,;.54,-4.6,;.54,-9.22,;.54,-10.76,;1.87,-8.45,;3.21,-9.22,;3.21,-10.76,;4.54,-11.53,;4.54,-13.07,;5.87,-13.84,;3.21,-13.84,;4.54,-8.45,;4.54,-6.91,;5.87,-9.22,;7.21,-8.45,;8.54,-9.22,;9.87,-8.45,;11.21,-9.22,;12.54,-8.45,;14.09,-9.32,;15.43,-8.55,;16.76,-9.32,;16.76,-10.86,;18.09,-8.55,;19.43,-9.32,;19.43,-10.86,;20.77,-11.64,;20.77,-13.18,;22.1,-13.94,;22.1,-15.49,;25.3,-13.5,;26.08,-12.17,;27.62,-12.17,;28.39,-13.52,;29.93,-13.52,;30.71,-12.19,;32.25,-12.19,;29.95,-10.87,;28.44,-11.19,;27.67,-9.85,;28.71,-8.71,;30.11,-9.32,;31.45,-8.55,;32.78,-9.32,;31.45,-7.01,;32.78,-6.24,;34.12,-7.01,;35.45,-6.24,;36.78,-7,;36.78,-8.55,;38.13,-9.32,;35.45,-9.32,;34.12,-8.55,;30.11,-6.24,;30.11,-4.7,;31.45,-3.93,;28.78,-3.93,;28.78,-2.39,;30.11,-1.61,;30.11,-.07,;31.45,.7,;28.78,.7,;27.44,-4.7,;26.11,-3.93,;26.11,-2.39,;24.77,-4.7,;23.43,-3.93,;23.43,-2.39,;22.1,-1.61,;22.1,-.07,;20.77,.7,;20.77,2.24,;19.43,-.07,;24.77,-6.24,;23.43,-7.01,;22.1,-6.24,;23.43,-8.55,;22.1,-9.32,;20.77,-8.55,;20.77,-7.01,;24.77,-9.32,;24.77,-10.86,;26.11,-8.55,;27.61,-14.85,;26.06,-14.85,;28.37,-16.19,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598272
(CHEMBL5196523)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]2([H])CCCN2C1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O)NC(=O)[C@@H](N)CCSC |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598271
(CHEMBL5172332)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CSCC(=O)CSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598275
(CHEMBL5203584)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)n2)NC(=O)CN |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598277
(CHEMBL5175074)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(O)=O)n2)NC(=O)CN |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50598285
(CHEMBL5185690)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5 |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50154254
(CHEMBL3775705)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H34N2O6/c1-26(2,3)34-25(32)28-20(15-18-11-7-5-8-12-18)22(29)17-23(30)27-21(24(31)33-4)16-19-13-9-6-10-14-19/h5-14,20-22,29H,15-17H2,1-4H3,(H,27,30)(H,28,32)/t20-,21-,22-/m0/s1 | PDB
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| Article
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal Fluminense
Curated by ChEMBL
| Assay Description
Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk p... |
Eur J Med Chem 112: 39-47 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50154252
(CHEMBL3774934)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C22H32N2O6/c1-22(2,3)30-21(28)23-16(13-15-9-6-5-7-10-15)18(25)14-19(26)24-12-8-11-17(24)20(27)29-4/h5-7,9-10,16-18,25H,8,11-14H2,1-4H3,(H,23,28)/t16-,17-,18-/m0/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal Fluminense
Curated by ChEMBL
| Assay Description
Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk p... |
Eur J Med Chem 112: 39-47 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50154253
(CHEMBL3775377)Show SMILES COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O6/c1-14(2)19(20(27)29-6)24-18(26)13-17(25)16(12-15-10-8-7-9-11-15)23-21(28)30-22(3,4)5/h7-11,14,16-17,19,25H,12-13H2,1-6H3,(H,23,28)(H,24,26)/t16-,17-,19-/m0/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal Fluminense
Curated by ChEMBL
| Assay Description
Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk p... |
Eur J Med Chem 112: 39-47 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(Homo sapiens (Human)) | BDBM50513780
(CHEMBL4456106)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C67H105N19O17S2/c1-6-35(3)51-62(99)80-44-33-104-105-34-45(79-55(92)39(20-13-25-72-67(70)71)74-50(90)31-73-54(91)41(30-49(69)89)76-60(97)46-21-14-26-84(46)64(101)42(77-58(44)95)29-38-17-9-8-10-18-38)59(96)83-53(37(5)88)63(100)75-40(19-11-12-24-68)56(93)78-43(32-87)57(94)82-52(36(4)7-2)66(103)86-28-16-23-48(86)65(102)85-27-15-22-47(85)61(98)81-51/h8-10,17-18,35-37,39-48,51-53,87-88H,6-7,11-16,19-34,68H2,1-5H3,(H2,69,89)(H,73,91)(H,74,90)(H,75,100)(H,76,97)(H,77,95)(H,78,93)(H,79,92)(H,80,99)(H,81,98)(H,82,94)(H,83,96)(H4,70,71,72)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1 | PDB
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| 143 | 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 recombinant KLK5 (unknown origin) expressed in Pichia pastoris X-33 cells using pNA peptide as susbtrate measured every 10 secs for 300... |
J Med Chem 62: 3696-3706 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00211
BindingDB Entry DOI: 10.7270/Q2639T2R |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113060
(US9695194, 1)Show InChI InChI=1S/C18H17NO4S/c1-4-22-15-9-12-13(10-14(15)21-2)19-17(23-18(12)20)11-7-5-6-8-16(11)24-3/h5-10H,4H2,1-3H3 | PDB
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| US Patent
| 200 | -39.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50446220
(CHEMBL3109164)Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H29NO7/c28-25(20-12-7-13-27(20)26(29)33-15-19-10-5-2-6-11-19)34-22-17-32-23-21(16-31-24(22)23)30-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2/t20-,21-,22-,23-,24-/m1/s1 | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do ABC
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ... |
ACS Med Chem Lett 5: 128-32 (2014)
Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50125044
(CHEMBL3623790)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C69H104N20O17S2/c1-7-34(4)53-64(102)78-40(18-12-22-74-69(72)73)57(95)81-44(31-90)59(97)86-55(36(6)9-3)68(106)89-25-15-21-49(89)67(105)88-24-14-20-48(88)63(101)85-54(35(5)8-2)65(103)83-45-32-107-108-33-46(61(99)84-53)82-58(96)41(26-37-29-75-39-17-11-10-16-38(37)39)77-52(93)30-76-56(94)42(27-50(70)91)79-62(100)47-19-13-23-87(47)66(104)43(28-51(71)92)80-60(45)98/h10-11,16-17,29,34-36,40-49,53-55,75,90H,7-9,12-15,18-28,30-33H2,1-6H3,(H2,70,91)(H2,71,92)(H,76,94)(H,77,93)(H,78,102)(H,79,100)(H,80,98)(H,81,95)(H,82,96)(H,83,103)(H,84,99)(H,85,101)(H,86,97)(H4,72,73,74)/t34-,35-,36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-,55-/m0/s1 | PDB
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| 362 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queensland University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris X33 using Ac-YRSR-pNA by spectrophotometry method |
J Med Chem 58: 8257-68 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01148
BindingDB Entry DOI: 10.7270/Q2PR7XSJ |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50446221
(CHEMBL3109163)Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/m0/s1 | PDB
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Universidade Federal do ABC
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ... |
ACS Med Chem Lett 5: 128-32 (2014)
Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113299
(US9695194, 15)Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3 | PDB
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| 500 | -37.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113069
(US9695194, 5)Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3 | PDB
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| 500 | -37.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113065
(US9695194, 2)Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3 | PDB
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| 500 | -37.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113297
(US9695194, 14)Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H13NO6S/c1-25(20,21)15-5-3-2-4-10(15)16-18-12-9-14-13(22-6-7-23-14)8-11(12)17(19)24-16/h2-5,8-9H,6-7H2,1H3 | PDB
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| 600 | -36.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113296
(US9695194, 13)Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3 | PDB
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| 600 | -36.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50446218
(CHEMBL3109166)Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C29H35NO9/c1-29(2,3)39-28(33)30-21(14-24(31)35-16-20-12-8-5-9-13-20)27(32)38-23-18-37-25-22(17-36-26(23)25)34-15-19-10-6-4-7-11-19/h4-13,21-23,25-26H,14-18H2,1-3H3,(H,30,33)/t21-,22+,23+,25+,26+/m0/s1 | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do ABC
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ... |
ACS Med Chem Lett 5: 128-32 (2014)
Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113067
(US9695194, 3)Show InChI InChI=1S/C19H19NO6/c1-5-25-17-9-13-14(10-16(17)24-4)20-18(26-19(13)21)12-7-6-11(22-2)8-15(12)23-3/h6-10H,5H2,1-4H3 | PDB
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| 600 | -36.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM50446219
(CHEMBL3109165)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r| Show InChI InChI=1S/C32H42N2O9/c1-32(2,3)43-31(37)34-24(16-10-11-17-33-30(36)41-19-23-14-8-5-9-15-23)29(35)42-26-21-40-27-25(20-39-28(26)27)38-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27+,28+/m0/s1 | PDB
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| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do ABC
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ... |
ACS Med Chem Lett 5: 128-32 (2014)
Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV |
More data for this
Ligand-Target Pair | |
Kallikrein-5
(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
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| 800 | 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 recombinant human C-terminal 10His-tagged KLK5 (67 to 293 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide ... |
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 | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113300
(US9695194, 16)Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2 | PDB
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| 1.00E+3 | -35.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113283
(US9695194, 8)Show InChI InChI=1S/C19H17NO6/c1-22-11-4-5-12(15(8-11)23-2)18-20-14-10-17-16(24-6-3-7-25-17)9-13(14)19(21)26-18/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
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| 1.00E+3 | -35.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113301
(US9695194, 17)Show SMILES COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1 Show InChI InChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3 | PDB
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| 1.00E+3 | -35.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
Kallikrein-5 [D153N]
(Homo sapiens (Human)) | BDBM113068
(US9695194, 4)Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H17NO6S/c1-4-24-15-9-12-13(10-14(15)23-2)19-17(25-18(12)20)11-7-5-6-8-16(11)26(3,21)22/h5-10H,4H2,1-3H3 | PDB
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| 1.00E+3 | -35.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
SIXERA PHARMA AB
US Patent
| Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,... |
US Patent US9695194 (2017)
BindingDB Entry DOI: 10.7270/Q2CN723D |
More data for this
Ligand-Target Pair | |
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