Found 201 hits with Last Name = 'wanaka' and Initial = 'k' 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 |
|---|
Plasminogen
(Homo sapiens (Human)) | BDBM50138836
(CHEMBL3754193)Show SMILES CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(CN)cc1 |r| Show InChI InChI=1S/C29H36N4O3/c1-2-3-4-5-17-32-29(35)27(33-28(34)25-12-8-23(19-30)9-13-25)18-22-10-14-26(15-11-22)36-21-24-7-6-16-31-20-24/h6-16,20,27H,2-5,17-19,21,30H2,1H3,(H,32,35)(H,33,34)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin assessed as inhibition of amidolysis in presence of fibrinogen |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50428067
(CL-65336 | Cyklokapron | Lysteda | TRANEXAMIC ACID...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:5.8,wD:2.1,(1.2,4.21,;-.14,3.44,;-.14,1.9,;-1.47,1.13,;-1.47,-.41,;-.14,-1.18,;1.2,-.41,;1.2,1.13,;-.14,-2.72,;-1.47,-3.49,;1.2,-3.49,)| Show InChI InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
| DrugBank
MMDB
PDB
Article
PubMed
| 4.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin assessed as inhibition of amidolysis in presence of fibrinogen |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Plasminogen
(Homo sapiens (Human)) | BDBM50138893
(CHEMBL3752964)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.40,wD:34.36,11.11,(2.4,5.49,;1.33,6.11,;-.01,5.35,;-1.34,6.12,;-2.68,5.36,;-4.01,6.13,;-5.34,5.37,;-6.68,6.14,;-8.01,5.38,;-9.35,6.15,;-9.34,7.38,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-12.01,7.7,;-10.95,8.31,;-13.35,8.47,;-13.35,10.01,;-14.68,10.78,;-16.01,10.01,;-17.35,10.79,;-17.34,12.02,;-16.01,8.47,;-14.68,7.7,)| Show InChI InChI=1S/C35H48N4O3/c1-2-3-4-5-6-9-22-37-35(41)33(39-34(40)29-16-12-27(24-36)13-17-29)23-26-14-20-31(21-15-26)42-25-30-19-18-28-10-7-8-11-32(28)38-30/h7-8,10-11,14-15,18-21,27,29,33H,2-6,9,12-13,16-17,22-25,36H2,1H3,(H,37,41)(H,39,40)/t27-,29-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Plasminogen
(Homo sapiens (Human)) | BDBM50092333
(CHEMBL3084793 | Carbonic acid 4-{2-(4-acetyl-pheny...)Show SMILES CC(=O)c1ccc(NC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)cc1 |wU:36.38,wD:33.34,(8.83,-9.49,;7.29,-9.49,;6.52,-10.82,;6.52,-8.15,;7.29,-6.82,;6.52,-5.48,;4.98,-5.48,;4.21,-4.15,;2.67,-4.15,;1.9,-5.48,;1.9,-2.82,;2.67,-1.48,;4.21,-1.48,;4.98,-2.82,;6.52,-2.82,;7.29,-1.48,;8.83,-1.48,;9.6,-2.82,;8.83,-4.15,;11.14,-2.82,;11.91,-4.15,;13.45,-4.15,;14.22,-2.82,;15.76,-2.82,;16.53,-4.15,;15.76,-5.48,;14.22,-5.48,;13.45,-6.82,;6.52,-.15,;4.98,-.15,;.36,-2.82,;-.41,-4.15,;.36,-5.48,;-1.95,-4.15,;-2.72,-2.82,;-4.26,-2.82,;-5.03,-4.15,;-6.57,-4.15,;-7.34,-2.82,;-4.26,-5.48,;-2.72,-5.48,;4.21,-6.82,;4.98,-8.15,)| Show InChI InChI=1S/C33H36BrN3O6/c1-21(38)24-12-14-27(15-13-24)36-32(40)30(37-31(39)25-10-6-23(19-35)7-11-25)18-22-8-16-28(17-9-22)43-33(41)42-20-26-4-2-3-5-29(26)34/h2-5,8-9,12-17,23,25,30H,6-7,10-11,18-20,35H2,1H3,(H,36,40)(H,37,39)/t23-,25-,30? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibitory activity of compound was evaluated against plasmin |
Bioorg Med Chem Lett 10: 2217-21 (2001)
BindingDB Entry DOI: 10.7270/Q2125RXQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138888
(CHEMBL3752600)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3cccnc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)| Show InChI InChI=1S/C35H48N4O3/c1-2-3-4-5-6-7-21-38-35(41)32(39-34(40)29-17-13-27(24-36)14-18-29)23-26-15-19-31(20-16-26)42-25-30-11-8-10-28-12-9-22-37-33(28)30/h8-12,15-16,19-20,22,27,29,32H,2-7,13-14,17-18,21,23-25,36H2,1H3,(H,38,41)(H,39,40)/t27-,29-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138832
(CHEMBL3752907)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:30.31,wD:27.27,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;11.73,-8.32,;10.66,-6.47,;11.73,-7.09,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C29H49N3O3/c1-5-6-7-8-9-10-19-31-28(34)26(32-27(33)24-15-11-23(21-30)12-16-24)20-22-13-17-25(18-14-22)35-29(2,3)4/h13-14,17-18,23-24,26H,5-12,15-16,19-21,30H2,1-4H3,(H,31,34)(H,32,33)/t23-,24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50092338
(CHEMBL3084796 | Carbonic acid 4-[2-[(4-aminomethyl...)Show SMILES CC(C)CCNC(=O)C(Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |wU:34.36,wD:31.32,(11.12,-6.33,;10.62,-7.79,;11.62,-8.95,;9.1,-8.08,;8.09,-6.92,;6.58,-7.21,;5.57,-6.04,;6.08,-4.59,;4.06,-6.33,;3.05,-5.17,;3.56,-3.72,;5.07,-3.42,;5.57,-1.97,;4.57,-.81,;5.07,.65,;6.58,.94,;7.59,-.22,;7.09,2.4,;8.6,2.69,;9.1,4.14,;8.09,5.31,;8.6,6.76,;10.11,7.05,;11.12,5.89,;10.62,4.43,;11.62,3.27,;3.05,-1.1,;2.55,-2.55,;3.56,-7.79,;4.57,-8.95,;6.08,-8.66,;4.06,-10.41,;2.55,-10.7,;2.05,-12.16,;3.05,-13.32,;2.55,-14.77,;1.04,-15.07,;4.57,-13.03,;5.07,-11.57,)| Show InChI InChI=1S/C30H40BrN3O5/c1-20(2)15-16-33-29(36)27(34-28(35)23-11-7-22(18-32)8-12-23)17-21-9-13-25(14-10-21)39-30(37)38-19-24-5-3-4-6-26(24)31/h3-6,9-10,13-14,20,22-23,27H,7-8,11-12,15-19,32H2,1-2H3,(H,33,36)(H,34,35)/t22-,23-,27? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibitory activity of compound was evaluated against plasmin |
Bioorg Med Chem Lett 10: 2217-21 (2001)
BindingDB Entry DOI: 10.7270/Q2125RXQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138891
(CHEMBL3754802)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.33,;17.33,-13.1,;17.33,-14.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C35H51N3O5/c1-3-5-6-7-8-9-22-37-34(40)32(38-33(39)29-16-10-27(24-36)11-17-29)23-26-14-20-31(21-15-26)43-25-28-12-18-30(19-13-28)35(41)42-4-2/h12-15,18-21,27,29,32H,3-11,16-17,22-25,36H2,1-2H3,(H,37,40)(H,38,39)/t27-,29-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138890
(CHEMBL3752206)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.34,-8.48,;18.67,-7.71,;19.74,-8.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C35H51N3O5/c1-3-5-6-7-8-9-21-37-34(40)32(38-33(39)29-17-13-27(24-36)14-18-29)23-26-15-19-31(20-16-26)43-25-28-11-10-12-30(22-28)35(41)42-4-2/h10-12,15-16,19-20,22,27,29,32H,3-9,13-14,17-18,21,23-25,36H2,1-2H3,(H,37,40)(H,38,39)/t27-,29-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138837
(CHEMBL3753862)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Plasminogen
(Homo sapiens (Human)) | BDBM50092331
(4-Aminomethyl-cyclohexanecarboxylic acid {1-octylc...)Show SMILES CCCCCCCCNC(=O)C(Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |wU:33.35,wD:30.31,(22.3,-4.53,;22.3,-2.99,;20.97,-2.22,;19.64,-2.99,;18.3,-2.22,;16.97,-2.99,;15.64,-2.22,;14.3,-2.99,;12.97,-2.22,;11.63,-2.99,;11.63,-4.53,;10.3,-2.22,;10.3,-.68,;11.63,.09,;12.97,-.68,;14.3,.09,;14.3,1.63,;15.64,2.4,;16.97,1.63,;18.3,2.4,;18.3,3.94,;19.64,4.71,;20.97,3.94,;20.97,2.4,;19.64,1.63,;12.97,2.4,;11.63,1.63,;8.97,-2.99,;8.97,-4.53,;10.3,-5.3,;7.63,-5.3,;6.3,-4.53,;4.97,-5.3,;4.97,-6.84,;3.63,-7.61,;2.3,-6.84,;6.3,-7.61,;7.63,-6.84,)| Show InChI InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibitory activity of compound was evaluated against plasmin |
Bioorg Med Chem Lett 10: 2217-21 (2001)
BindingDB Entry DOI: 10.7270/Q2125RXQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM13574
((2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-methylbutan...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138892
(CHEMBL3753685)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.07,-8.32,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-5-6-7-19-35-32(38)30(36-31(37)27-15-11-25(22-34)12-16-27)21-24-13-17-29(18-14-24)41-23-26-9-8-10-28(20-26)33(39)40/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,34H2,1H3,(H,35,38)(H,36,37)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138840
(CHEMBL3753340)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.7,;16,-6.47,;17.07,-8.32,;17.07,-7.09,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H46F3N3O3/c1-2-3-4-5-6-7-19-38-32(41)30(39-31(40)27-15-11-25(22-37)12-16-27)21-24-13-17-29(18-14-24)42-23-26-9-8-10-28(20-26)33(34,35)36/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138835
(CHEMBL3752269)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.48,;17.07,-8.32,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C32H46N4O5/c1-2-3-4-5-6-7-19-34-32(38)30(35-31(37)27-15-11-25(22-33)12-16-27)21-24-13-17-29(18-14-24)41-23-26-9-8-10-28(20-26)36(39)40/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,33H2,1H3,(H,34,38)(H,35,37)/t25-,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138889
(CHEMBL3754274)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.40,wD:34.36,11.11,(2.4,5.49,;1.33,6.11,;-.01,5.35,;-1.34,6.12,;-2.68,5.36,;-4.01,6.13,;-5.34,5.37,;-6.68,6.14,;-8.01,5.38,;-9.35,6.15,;-9.34,7.38,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-12.01,7.7,;-10.95,8.31,;-13.35,8.47,;-13.35,10.01,;-14.68,10.78,;-16.01,10.01,;-17.35,10.79,;-17.34,12.02,;-16.01,8.47,;-14.68,7.7,)| Show InChI InChI=1S/C36H49N3O3/c1-2-3-4-5-6-9-22-38-36(41)34(39-35(40)31-18-12-28(25-37)13-19-31)24-27-15-20-33(21-16-27)42-26-29-14-17-30-10-7-8-11-32(30)23-29/h7-8,10-11,14-17,20-21,23,28,31,34H,2-6,9,12-13,18-19,22,24-26,37H2,1H3,(H,38,41)(H,39,40)/t28-,31-,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50092335
(CHEMBL3084794 | Carbonic acid 4-{2-[(4-aminomethyl...)Show SMILES Cc1nc(C)c(CCCNC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)nc1O |wU:35.36,wD:38.40,(3.86,-9.45,;3.86,-7.91,;5.19,-7.14,;5.19,-5.6,;6.53,-4.83,;3.86,-4.83,;3.86,-3.29,;2.53,-2.52,;1.19,-3.29,;-.14,-2.52,;-1.47,-3.29,;-1.47,-4.83,;-2.81,-2.52,;-2.81,-.98,;-1.47,-.21,;-.14,-.98,;1.19,-.21,;1.19,1.33,;2.53,2.1,;3.86,1.33,;3.86,-.21,;5.19,2.1,;6.53,1.33,;7.86,2.1,;7.86,3.64,;9.2,4.41,;10.53,3.64,;10.53,2.1,;9.2,1.33,;9.2,-.21,;-.14,2.1,;-1.47,1.33,;-4.14,-3.29,;-4.14,-4.83,;-2.81,-5.6,;-5.48,-5.6,;-5.48,-7.14,;-6.81,-7.91,;-8.14,-7.14,;-9.48,-7.91,;-10.81,-7.14,;-8.14,-5.6,;-6.81,-4.83,;2.53,-5.6,;2.53,-7.14,;1.19,-7.91,)| Show InChI InChI=1S/C34H42BrN5O6/c1-21-29(39-31(41)22(2)38-21)8-5-17-37-33(43)30(40-32(42)25-13-9-24(19-36)10-14-25)18-23-11-15-27(16-12-23)46-34(44)45-20-26-6-3-4-7-28(26)35/h3-4,6-7,11-12,15-16,24-25,30H,5,8-10,13-14,17-20,36H2,1-2H3,(H,37,43)(H,39,41)(H,40,42)/t24-,25-,30? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibitory activity of compound was evaluated against plasmin; not detectable |
Bioorg Med Chem Lett 10: 2217-21 (2001)
BindingDB Entry DOI: 10.7270/Q2125RXQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138894
(CHEMBL3752061)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)-c2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:39.42,wD:36.38,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.7,;16,-6.16,;17.34,-5.4,;18.67,-6.17,;18.67,-7.71,;17.33,-8.48,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C38H51N3O3/c1-2-3-4-5-6-10-24-40-38(43)36(41-37(42)33-20-16-30(27-39)17-21-33)26-29-18-22-35(23-19-29)44-28-31-12-11-15-34(25-31)32-13-8-7-9-14-32/h7-9,11-15,18-19,22-23,25,30,33,36H,2-6,10,16-17,20-21,24,26-28,39H2,1H3,(H,40,43)(H,41,42)/t30-,33-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50092332
(CHEMBL3084795 | Carbonic acid 4-{2-[(4-aminomethyl...)Show SMILES CCCCCCCCNC(=O)C(Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |wU:37.39,wD:34.35,(15.04,-7.34,;15.04,-5.8,;13.71,-5.03,;12.37,-5.8,;11.04,-5.03,;9.71,-5.8,;8.37,-5.03,;7.04,-5.8,;5.71,-5.03,;4.37,-5.8,;4.37,-7.34,;3.04,-5.03,;3.04,-3.49,;4.37,-2.72,;5.71,-3.49,;7.04,-2.72,;7.04,-1.18,;8.37,-.41,;9.71,-1.18,;9.71,-2.72,;11.04,-.41,;12.37,-1.18,;13.71,-.41,;13.71,1.13,;15.04,1.9,;16.37,1.13,;16.37,-.41,;15.04,-1.18,;15.04,-2.72,;5.71,-.41,;4.37,-1.18,;1.7,-5.8,;1.7,-7.34,;3.04,-8.11,;.37,-8.11,;-.96,-7.34,;-2.3,-8.11,;-2.3,-9.65,;-3.63,-10.42,;-4.96,-9.65,;-.96,-10.42,;.37,-9.65,)| Show InChI InChI=1S/C33H46BrN3O5/c1-2-3-4-5-6-9-20-36-32(39)30(37-31(38)26-16-12-25(22-35)13-17-26)21-24-14-18-28(19-15-24)42-33(40)41-23-27-10-7-8-11-29(27)34/h7-8,10-11,14-15,18-19,25-26,30H,2-6,9,12-13,16-17,20-23,35H2,1H3,(H,36,39)(H,37,38)/t25-,26-,30? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibitory activity of compound was evaluated against plasmin |
Bioorg Med Chem Lett 10: 2217-21 (2001)
BindingDB Entry DOI: 10.7270/Q2125RXQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138834
(CHEMBL3752299)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(N)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,wD:31.32,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;15.73,-7.86,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C32H48N4O3/c1-2-3-4-5-6-7-19-35-32(38)30(36-31(37)27-15-11-25(22-33)12-16-27)21-24-13-17-29(18-14-24)39-23-26-9-8-10-28(34)20-26/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,33-34H2,1H3,(H,35,38)(H,36,37)/t25-,27-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138834
(CHEMBL3752299)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(N)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,wD:31.32,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;15.73,-7.86,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C32H48N4O3/c1-2-3-4-5-6-7-19-35-32(38)30(36-31(37)27-15-11-25(22-33)12-16-27)21-24-13-17-29(18-14-24)39-23-26-9-8-10-28(34)20-26/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,33-34H2,1H3,(H,35,38)(H,36,37)/t25-,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138888
(CHEMBL3752600)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3cccnc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)| Show InChI InChI=1S/C35H48N4O3/c1-2-3-4-5-6-7-21-38-35(41)32(39-34(40)29-17-13-27(24-36)14-18-29)23-26-15-19-31(20-16-26)42-25-30-11-8-10-28-12-9-22-37-33(28)30/h8-12,15-16,19-20,22,27,29,32H,2-7,13-14,17-18,21,23-25,36H2,1H3,(H,38,41)(H,39,40)/t27-,29-,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138882
(CHEMBL3752559)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.78,;17.07,-10.17,;16,-12.02,;17.07,-11.4,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H46F3N3O3/c1-2-3-4-5-6-7-20-38-32(41)30(39-31(40)27-14-8-25(22-37)9-15-27)21-24-12-18-29(19-13-24)42-23-26-10-16-28(17-11-26)33(34,35)36/h10-13,16-19,25,27,30H,2-9,14-15,20-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138126
(CHEMBL3752458)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(OCc3ccncc3)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,11.11,wD:41.44,(9.06,-17.57,;7.99,-16.96,;7.99,-15.42,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;16,-7.7,;16,-6.16,;17.33,-5.39,;17.33,-3.85,;18.66,-3.08,;20,-3.85,;20,-5.39,;18.66,-6.16,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)| Show InChI InChI=1S/C38H52N4O4/c1-2-3-4-5-6-7-21-41-38(44)36(42-37(43)33-15-11-30(26-39)12-16-33)25-29-13-17-34(18-14-29)45-28-32-9-8-10-35(24-32)46-27-31-19-22-40-23-20-31/h8-10,13-14,17-20,22-24,30,33,36H,2-7,11-12,15-16,21,25-28,39H2,1H3,(H,41,44)(H,42,43)/t30-,33-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138838
(CHEMBL3752312)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:26.27,wD:23.23,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.06,-8.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C25H41N3O3/c1-2-3-4-5-6-7-16-27-25(31)23(17-19-10-14-22(29)15-11-19)28-24(30)21-12-8-20(18-26)9-13-21/h10-11,14-15,20-21,23,29H,2-9,12-13,16-18,26H2,1H3,(H,27,31)(H,28,30)/t20-,21-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138837
(CHEMBL3753862)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138126
(CHEMBL3752458)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(OCc3ccncc3)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,11.11,wD:41.44,(9.06,-17.57,;7.99,-16.96,;7.99,-15.42,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;16,-7.7,;16,-6.16,;17.33,-5.39,;17.33,-3.85,;18.66,-3.08,;20,-3.85,;20,-5.39,;18.66,-6.16,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)| Show InChI InChI=1S/C38H52N4O4/c1-2-3-4-5-6-7-21-41-38(44)36(42-37(43)33-15-11-30(26-39)12-16-33)25-29-13-17-34(18-14-29)45-28-32-9-8-10-35(24-32)46-27-31-19-22-40-23-20-31/h8-10,13-14,17-20,22-24,30,33,36H,2-7,11-12,15-16,21,25-28,39H2,1H3,(H,41,44)(H,42,43)/t30-,33-,36-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138893
(CHEMBL3752964)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.40,wD:34.36,11.11,(2.4,5.49,;1.33,6.11,;-.01,5.35,;-1.34,6.12,;-2.68,5.36,;-4.01,6.13,;-5.34,5.37,;-6.68,6.14,;-8.01,5.38,;-9.35,6.15,;-9.34,7.38,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-12.01,7.7,;-10.95,8.31,;-13.35,8.47,;-13.35,10.01,;-14.68,10.78,;-16.01,10.01,;-17.35,10.79,;-17.34,12.02,;-16.01,8.47,;-14.68,7.7,)| Show InChI InChI=1S/C35H48N4O3/c1-2-3-4-5-6-9-22-37-35(41)33(39-34(40)29-16-12-27(24-36)13-17-29)23-26-14-20-31(21-15-26)42-25-30-19-18-28-10-7-8-11-32(28)38-30/h7-8,10-11,14-15,18-21,27,29,33H,2-6,9,12-13,16-17,22-25,36H2,1H3,(H,37,41)(H,39,40)/t27-,29-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138881
(CHEMBL3753392)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(=O)OC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.35,11.11,wD:37.39,(9.06,-17.57,;7.99,-16.96,;7.99,-15.41,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.34,-6.16,;12.27,-5.55,;14.67,-5.4,;14.67,-4.16,;7.99,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)| Show InChI InChI=1S/C34H49N3O5/c1-3-4-5-6-7-10-21-36-33(39)31(37-32(38)27-17-13-26(23-35)14-18-27)22-25-15-19-29(20-16-25)42-24-28-11-8-9-12-30(28)34(40)41-2/h8-9,11-12,15-16,19-20,26-27,31H,3-7,10,13-14,17-18,21-24,35H2,1-2H3,(H,36,39)(H,37,38)/t26-,27-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138884
(CHEMBL3754642)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)| Show InChI InChI=1S/C36H49N3O3/c1-2-3-4-5-6-9-23-38-36(41)34(39-35(40)30-19-15-28(25-37)16-20-30)24-27-17-21-32(22-18-27)42-26-31-13-10-12-29-11-7-8-14-33(29)31/h7-8,10-14,17-18,21-22,28,30,34H,2-6,9,15-16,19-20,23-26,37H2,1H3,(H,38,41)(H,39,40)/t28-,30-,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138831
(CHEMBL3753071)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C32H47N3O3/c1-2-3-4-5-6-10-21-34-32(37)30(35-31(36)28-17-13-26(23-33)14-18-28)22-25-15-19-29(20-16-25)38-24-27-11-8-7-9-12-27/h7-9,11-12,15-16,19-20,26,28,30H,2-6,10,13-14,17-18,21-24,33H2,1H3,(H,34,37)(H,35,36)/t26-,28-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138892
(CHEMBL3753685)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.07,-8.32,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-5-6-7-19-35-32(38)30(36-31(37)27-15-11-25(22-34)12-16-27)21-24-13-17-29(18-14-24)41-23-26-9-8-10-28(20-26)33(39)40/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,34H2,1H3,(H,35,38)(H,36,37)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138835
(CHEMBL3752269)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.48,;17.07,-8.32,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C32H46N4O5/c1-2-3-4-5-6-7-19-34-32(38)30(35-31(37)27-15-11-25(22-33)12-16-27)21-24-13-17-29(18-14-24)41-23-26-9-8-10-28(20-26)36(39)40/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,33H2,1H3,(H,34,38)(H,35,37)/t25-,27-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138831
(CHEMBL3753071)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C32H47N3O3/c1-2-3-4-5-6-10-21-34-32(37)30(35-31(36)28-17-13-26(23-33)14-18-28)22-25-15-19-29(20-16-25)38-24-27-11-8-7-9-12-27/h7-9,11-12,15-16,19-20,26,28,30H,2-6,10,13-14,17-18,21-24,33H2,1H3,(H,34,37)(H,35,36)/t26-,28-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50092334
(4-({2-[(4-Aminomethyl-cyclohexanecarbonyl)-amino]-...)Show SMILES CCCCCCCCOC(=O)[C@H]1CC[C@H](CNC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)CC1 |wU:42.43,14.14,wD:11.10,45.47,(22.77,-3.21,;21.44,-2.44,;20.1,-3.21,;18.77,-2.44,;17.44,-3.21,;16.1,-2.44,;14.77,-3.21,;13.44,-2.44,;12.1,-3.21,;10.77,-2.44,;10.77,-.9,;9.44,-3.21,;8.1,-2.44,;6.77,-3.21,;6.77,-4.75,;5.43,-5.52,;4.1,-4.75,;2.77,-5.52,;2.77,-7.06,;1.43,-4.75,;1.43,-3.21,;.1,-2.44,;.1,-.9,;-1.23,-.13,;-2.57,-.9,;-3.9,-.13,;-3.9,1.41,;-2.57,2.18,;-5.24,2.18,;-5.24,3.72,;-6.57,4.49,;-7.9,3.72,;-9.24,4.49,;-9.24,6.03,;-7.9,6.8,;-6.57,6.03,;-5.24,6.8,;-2.57,-2.44,;-1.23,-3.21,;.1,-5.52,;.1,-7.06,;1.43,-7.83,;-1.23,-7.83,;-1.23,-9.37,;-2.57,-10.14,;-3.9,-9.37,;-5.24,-10.14,;-6.57,-9.37,;-3.9,-7.83,;-2.57,-7.06,;8.1,-5.52,;9.44,-4.75,)| Show InChI InChI=1S/C41H58BrN3O7/c1-2-3-4-5-6-9-24-50-40(48)33-20-14-31(15-21-33)27-44-39(47)37(45-38(46)32-18-12-30(26-43)13-19-32)25-29-16-22-35(23-17-29)52-41(49)51-28-34-10-7-8-11-36(34)42/h7-8,10-11,16-17,22-23,30-33,37H,2-6,9,12-15,18-21,24-28,43H2,1H3,(H,44,47)(H,45,46)/t30-,31-,32-,33-,37? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibitory activity of compound was evaluated against plasmin |
Bioorg Med Chem Lett 10: 2217-21 (2001)
BindingDB Entry DOI: 10.7270/Q2125RXQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138840
(CHEMBL3753340)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.7,;16,-6.47,;17.07,-8.32,;17.07,-7.09,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H46F3N3O3/c1-2-3-4-5-6-7-19-38-32(41)30(39-31(40)27-15-11-25(22-37)12-16-27)21-24-13-17-29(18-14-24)42-23-26-9-8-10-28(20-26)33(34,35)36/h8-10,13-14,17-18,20,25,27,30H,2-7,11-12,15-16,19,21-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138885
(CHEMBL3752906)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.02,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-5-6-7-20-35-32(38)30(36-31(37)27-14-8-25(22-34)9-15-27)21-24-12-18-29(19-13-24)41-23-26-10-16-28(17-11-26)33(39)40/h10-13,16-19,25,27,30H,2-9,14-15,20-23,34H2,1H3,(H,35,38)(H,36,37)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138884
(CHEMBL3754642)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)| Show InChI InChI=1S/C36H49N3O3/c1-2-3-4-5-6-9-23-38-36(41)34(39-35(40)30-19-15-28(25-37)16-20-30)24-27-17-21-32(22-18-27)42-26-31-13-10-12-29-11-7-8-14-33(29)31/h7-8,10-14,17-18,21-22,28,30,34H,2-6,9,15-16,19-20,23-26,37H2,1H3,(H,38,41)(H,39,40)/t28-,30-,34-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138890
(CHEMBL3752206)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.34,-8.48,;18.67,-7.71,;19.74,-8.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C35H51N3O5/c1-3-5-6-7-8-9-21-37-34(40)32(38-33(39)29-17-13-27(24-36)14-18-29)23-26-15-19-31(20-16-26)43-25-28-11-10-12-30(22-28)35(41)42-4-2/h10-12,15-16,19-20,22,27,29,32H,3-9,13-14,17-18,21,23-25,36H2,1-2H3,(H,37,40)(H,38,39)/t27-,29-,32-/m0/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138836
(CHEMBL3754193)Show SMILES CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(CN)cc1 |r| Show InChI InChI=1S/C29H36N4O3/c1-2-3-4-5-17-32-29(35)27(33-28(34)25-12-8-23(19-30)9-13-25)18-22-10-14-26(15-11-22)36-21-24-7-6-16-31-20-24/h6-16,20,27H,2-5,17-19,21,30H2,1H3,(H,32,35)(H,33,34)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin assessed as inhibition of fibrinolysis in presence of fibrinogen |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138880
(CHEMBL3753322)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.33,-6.16,;12.27,-5.55,;14.4,-5.55,;13.33,-4.93,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H46F3N3O3/c1-2-3-4-5-6-9-20-38-32(41)30(39-31(40)26-16-12-25(22-37)13-17-26)21-24-14-18-28(19-15-24)42-23-27-10-7-8-11-29(27)33(34,35)36/h7-8,10-11,14-15,18-19,25-26,30H,2-6,9,12-13,16-17,20-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,26-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138889
(CHEMBL3754274)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.40,wD:34.36,11.11,(2.4,5.49,;1.33,6.11,;-.01,5.35,;-1.34,6.12,;-2.68,5.36,;-4.01,6.13,;-5.34,5.37,;-6.68,6.14,;-8.01,5.38,;-9.35,6.15,;-9.34,7.38,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-12.01,7.7,;-10.95,8.31,;-13.35,8.47,;-13.35,10.01,;-14.68,10.78,;-16.01,10.01,;-17.35,10.79,;-17.34,12.02,;-16.01,8.47,;-14.68,7.7,)| Show InChI InChI=1S/C36H49N3O3/c1-2-3-4-5-6-9-22-38-36(41)34(39-35(40)31-18-12-28(25-37)13-19-31)24-27-15-20-33(21-16-27)42-26-29-14-17-30-10-7-8-11-32(30)23-29/h7-8,10-11,14-17,20-21,23,28,31,34H,2-6,9,12-13,18-19,22,24-26,37H2,1H3,(H,38,41)(H,39,40)/t28-,31-,34-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50138836
(CHEMBL3754193)Show SMILES CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(CN)cc1 |r| Show InChI InChI=1S/C29H36N4O3/c1-2-3-4-5-17-32-29(35)27(33-28(34)25-12-8-23(19-30)9-13-25)18-22-10-14-26(15-11-22)36-21-24-7-6-16-31-20-24/h6-16,20,27H,2-5,17-19,21,30H2,1H3,(H,32,35)(H,33,34)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin assessed as inhibition of fibrinogenolysis in presence of fibrinogen |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138880
(CHEMBL3753322)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.33,-6.16,;12.27,-5.55,;14.4,-5.55,;13.33,-4.93,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H46F3N3O3/c1-2-3-4-5-6-9-20-38-32(41)30(39-31(40)26-16-12-25(22-37)13-17-26)21-24-14-18-28(19-15-24)42-23-27-10-7-8-11-29(27)33(34,35)36/h7-8,10-11,14-15,18-19,25-26,30H,2-6,9,12-13,16-17,20-23,37H2,1H3,(H,38,41)(H,39,40)/t25-,26-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138885
(CHEMBL3752906)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.02,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C33H47N3O5/c1-2-3-4-5-6-7-20-35-32(38)30(36-31(37)27-14-8-25(22-34)9-15-27)21-24-12-18-29(19-13-24)41-23-26-10-16-28(17-11-26)33(39)40/h10-13,16-19,25,27,30H,2-9,14-15,20-23,34H2,1H3,(H,35,38)(H,36,37)(H,39,40)/t25-,27-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138881
(CHEMBL3753392)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(=O)OC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.35,11.11,wD:37.39,(9.06,-17.57,;7.99,-16.96,;7.99,-15.41,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.34,-6.16,;12.27,-5.55,;14.67,-5.4,;14.67,-4.16,;7.99,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)| Show InChI InChI=1S/C34H49N3O5/c1-3-4-5-6-7-10-21-36-33(39)31(37-32(38)27-17-13-26(23-35)14-18-27)22-25-15-19-29(20-16-25)42-24-28-11-8-9-12-30(28)34(40)41-2/h8-9,11-12,15-16,19-20,26-27,31H,3-7,10,13-14,17-18,21-24,35H2,1-2H3,(H,36,39)(H,37,38)/t26-,27-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50500938
(CHEMBL3799985)Show SMILES CC(C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r| Show InChI InChI=1S/C34H37N7O4/c1-22(2)31(32-38-28-17-12-23(19-29(28)39(32)3)33(43)37-24(20-36)9-7-8-18-35)41-30(42)21-40(34(41)44)25-13-15-27(16-14-25)45-26-10-5-4-6-11-26/h4-6,10-17,19,22,24,31H,7-9,18,21,35H2,1-3H3,(H,37,43)/t24-,31+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using Boc-Val-Leu-Lys-MCA as substrate by fluorescence assay |
Bioorg Med Chem Lett 26: 2259-61 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.047
BindingDB Entry DOI: 10.7270/Q2MK6GX7 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50138837
(CHEMBL3753862)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Glu-Gly-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50138891
(CHEMBL3754802)Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.33,;17.33,-13.1,;17.33,-14.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C35H51N3O5/c1-3-5-6-7-8-9-22-37-34(40)32(38-33(39)29-16-10-27(24-36)11-17-29)23-26-14-20-31(21-15-26)43-25-28-12-18-30(19-13-28)35(41)42-4-2/h12-15,18-21,27,29,32H,3-11,16-17,22-25,36H2,1-2H3,(H,37,40)(H,38,39)/t27-,29-,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate |
Bioorg Med Chem 24: 545-53 (2016)
Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50500939
(CHEMBL3798282)Show SMILES CC[C@@H](C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r| Show InChI InChI=1S/C35H39N7O4/c1-4-23(2)32(33-39-29-18-13-24(20-30(29)40(33)3)34(44)38-25(21-37)10-8-9-19-36)42-31(43)22-41(35(42)45)26-14-16-28(17-15-26)46-27-11-6-5-7-12-27/h5-7,11-18,20,23,25,32H,4,8-10,19,22,36H2,1-3H3,(H,38,44)/t23-,25+,32-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hiroshima International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasmin using Boc-Val-Leu-Lys-MCA as substrate by fluorescence assay |
Bioorg Med Chem Lett 26: 2259-61 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.047
BindingDB Entry DOI: 10.7270/Q2MK6GX7 |
More data for this
Ligand-Target Pair | |
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