Found 89 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human wild-type plasma kallikrein catalytic domain after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Mus musculus) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein catalytic domain E217A mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Mus musculus) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Mus musculus (Mouse)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Mus musculus) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein catalytic domain G99Y mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499242
(CHEMBL3736473)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C55H89N17O12S2/c1-30(2)25-39-49(79)66-37(15-9-10-20-61-33(5)73)47(77)70-42(53(83)84)29-86-85-28-36(56)52(82)72-22-12-17-43(72)51(81)64-32(4)44(74)65-38(16-11-21-62-54(57)58)46(76)68-41(26-34-13-7-6-8-14-34)50(80)69-40(48(78)63-31(3)45(75)67-39)27-35-18-23-71(24-19-35)55(59)60/h6-8,13-14,30-32,35-43H,9-12,15-29,56H2,1-5H3,(H3,59,60)(H,61,73)(H,63,78)(H,64,81)(H,65,74)(H,66,79)(H,67,75)(H,68,76)(H,69,80)(H,70,77)(H,83,84)(H4,57,58,62)/t31-,32-,36-,37-,38-,39-,40-,41-,42+,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein catalytic domain G99Y mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein catalytic domain E217R mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human KLK1 after 15 mins using Val-Leu-Lys-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 384 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human KLK1 after 15 mins using Val-Leu-Lys-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Mus musculus (Mouse)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 833 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human KLK1 after 15 mins using Val-Leu-Lys-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 907 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human wild-type plasma kallikrein catalytic domain after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 938 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein catalytic domain E217A mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein catalytic domain E217R mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a after 15 mins |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Mus musculus) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Mus musculus) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Mus musculus) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a after 15 mins |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Mus musculus) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a after 15 mins |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a after 15 mins |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human matriptase after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Mus musculus) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse tPA after 15 mins using Z-D-Arg-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Mus musculus) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Mus musculus) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse tPA after 15 mins using Z-D-Arg-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Mus musculus (Mouse)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human tPAn after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Mus musculus) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human KLK1 after 15 mins using Val-Leu-Lys-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human tPAn after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Mus musculus) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse tPA after 15 mins using Z-D-Arg-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Mus musculus) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse tPA after 15 mins using Z-D-Arg-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Mus musculus) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human matriptase after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Mus musculus) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human matriptase after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human tPAn after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Mus musculus (Mouse)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human matriptase after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Mus musculus) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse tPA after 15 mins using Z-D-Arg-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Mus musculus) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Mus musculus) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Mus musculus (Mouse)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human matriptase after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human tPAn after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Mus musculus) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50499241
(CHEMBL3735513)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human tPAn after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human activated protein C after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human KLK1 after 15 mins using Val-Leu-Lys-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Mus musculus) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499242
(CHEMBL3736473)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C55H89N17O12S2/c1-30(2)25-39-49(79)66-37(15-9-10-20-61-33(5)73)47(77)70-42(53(83)84)29-86-85-28-36(56)52(82)72-22-12-17-43(72)51(81)64-32(4)44(74)65-38(16-11-21-62-54(57)58)46(76)68-41(26-34-13-7-6-8-14-34)50(80)69-40(48(78)63-31(3)45(75)67-39)27-35-18-23-71(24-19-35)55(59)60/h6-8,13-14,30-32,35-43H,9-12,15-29,56H2,1-5H3,(H3,59,60)(H,61,73)(H,63,78)(H,64,81)(H,65,74)(H,66,79)(H,67,75)(H,68,76)(H,69,80)(H,70,77)(H,83,84)(H4,57,58,62)/t31-,32-,36-,37-,38-,39-,40-,41-,42+,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Mus musculus (Mouse)) | BDBM50499242
(CHEMBL3736473)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C55H89N17O12S2/c1-30(2)25-39-49(79)66-37(15-9-10-20-61-33(5)73)47(77)70-42(53(83)84)29-86-85-28-36(56)52(82)72-22-12-17-43(72)51(81)64-32(4)44(74)65-38(16-11-21-62-54(57)58)46(76)68-41(26-34-13-7-6-8-14-34)50(80)69-40(48(78)63-31(3)45(75)67-39)27-35-18-23-71(24-19-35)55(59)60/h6-8,13-14,30-32,35-43H,9-12,15-29,56H2,1-5H3,(H3,59,60)(H,61,73)(H,63,78)(H,64,81)(H,65,74)(H,66,79)(H,67,75)(H,68,76)(H,69,80)(H,70,77)(H,83,84)(H4,57,58,62)/t31-,32-,36-,37-,38-,39-,40-,41-,42+,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a after 15 mins |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50499237
(CHEMBL3735217)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H91N17O11S2/c1-34(2)28-42-52(81)73-45(30-37-16-8-5-9-17-37)54(83)74-46(57(86)87)33-89-88-32-39(61)56(85)76-25-13-20-47(76)55(84)69-40(18-10-11-23-60)49(78)68-41(19-12-24-66-58(62)63)50(79)71-44(29-36-14-6-4-7-15-36)53(82)72-43(51(80)67-35(3)48(77)70-42)31-38-21-26-75(27-22-38)59(64)65/h4-9,14-17,34-35,38-47H,10-13,18-33,60-61H2,1-3H3,(H3,64,65)(H,67,80)(H,68,78)(H,69,84)(H,70,77)(H,71,79)(H,72,82)(H,73,81)(H,74,83)(H,86,87)(H4,62,63,66)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499240
(CHEMBL3735080)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Binding affinity to human plasma kallikrein by surface plasmon resonance assay |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499239
(CHEMBL3734777)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C51H73N13O16S2/c1-25(2)18-33-43(72)61-36(21-40(68)69)46(75)63-38(50(79)80)24-82-81-23-31(52)49(78)64-17-5-7-39(64)48(77)56-26(3)41(70)58-34(19-27-8-12-29(66)13-9-27)45(74)62-37(22-65)47(76)57-32(6-4-16-55-51(53)54)42(71)60-35(44(73)59-33)20-28-10-14-30(67)15-11-28/h8-15,25-26,31-39,65-67H,4-7,16-24,52H2,1-3H3,(H,56,77)(H,57,76)(H,58,70)(H,59,73)(H,60,71)(H,61,72)(H,62,74)(H,63,75)(H,68,69)(H,79,80)(H4,53,54,55)/t26-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Binding affinity to human plasma kallikrein by surface plasmon resonance assay |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50499238
(CHEMBL3735263)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r| Show InChI InChI=1S/C58H85N17O11S2/c1-31(2)24-41-51(80)72-44(27-36-28-65-39-15-9-8-14-37(36)39)53(82)73-45(56(85)86)30-88-87-29-38(59)55(84)75-21-11-17-46(75)54(83)67-33(4)47(76)68-40(16-10-20-64-57(60)61)49(78)70-43(25-34-12-6-5-7-13-34)52(81)71-42(50(79)66-32(3)48(77)69-41)26-35-18-22-74(23-19-35)58(62)63/h5-9,12-15,28,31-33,35,38,40-46,65H,10-11,16-27,29-30,59H2,1-4H3,(H3,62,63)(H,66,79)(H,67,83)(H,68,76)(H,69,77)(H,70,78)(H,71,81)(H,72,80)(H,73,82)(H,85,86)(H4,60,61,64)/t32-,33-,38-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description
Binding affinity to human plasma kallikrein by surface plasmon resonance assay |
J Med Chem 58: 8868-76 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01128
BindingDB Entry DOI: 10.7270/Q2XK8JH7 |
More data for this
Ligand-Target Pair | |
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