Found 8 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 |
|---|
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)) | 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)) | 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)) | 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)) | 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 | |
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 | |
Plasminogen
(Homo sapiens (Human)) | BDBM50451117
(CHEMBL3084798)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccc(Oc2ncccn2)cc1)C(=O)Nc1cccc(c1)C(O)=O |wU:2.1,wD:5.8,(-5.57,-3.35,;-4.8,-4.68,;-3.26,-4.68,;-2.49,-3.35,;-.95,-3.35,;-.18,-4.68,;-.95,-6.02,;-2.49,-6.02,;1.36,-4.68,;2.13,-6.02,;2.13,-3.35,;3.67,-3.35,;4.44,-2.02,;5.98,-2.02,;6.75,-3.35,;8.29,-3.35,;9.06,-2.02,;10.6,-2.02,;11.37,-.68,;12.91,-.68,;13.68,.65,;12.91,1.99,;11.37,1.99,;10.6,.65,;8.29,-.68,;6.75,-.68,;4.44,-4.68,;3.67,-6.02,;5.98,-4.68,;6.75,-6.02,;8.29,-6.02,;9.06,-7.35,;8.29,-8.68,;6.75,-8.68,;5.98,-7.35,;5.98,-10.02,;4.44,-10.02,;6.75,-11.35,)| Show InChI InChI=1S/C28H31N5O5/c29-17-19-5-9-20(10-6-19)25(34)33-24(26(35)32-22-4-1-3-21(16-22)27(36)37)15-18-7-11-23(12-8-18)38-28-30-13-2-14-31-28/h1-4,7-8,11-14,16,19-20,24H,5-6,9-10,15,17,29H2,(H,32,35)(H,33,34)(H,36,37)/t19-,20-,24? | 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 | 3.20E+4 | 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)) | BDBM50092337
((4-{2-[(4-Aminomethyl-cyclohexanecarbonyl)-amino]-...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1 |wU:2.1,wD:5.8,(2.07,-8.95,;3.4,-9.72,;4.74,-8.95,;4.74,-7.41,;6.07,-6.64,;7.4,-7.41,;7.4,-8.95,;6.07,-9.72,;8.74,-6.64,;8.74,-5.1,;10.07,-7.41,;11.4,-6.64,;11.4,-5.1,;12.74,-4.33,;12.74,-2.79,;14.07,-2.02,;15.4,-2.79,;15.4,-4.33,;14.07,-5.1,;12.74,-7.41,;12.74,-8.95,;14.07,-6.64,;15.4,-7.41,;16.74,-6.64,;18.07,-7.41,;18.07,-8.95,;19.41,-9.72,;19.41,-11.26,;18.07,-12.03,;20.74,-12.03,;16.74,-9.72,;15.4,-8.95,)| Show InChI InChI=1S/C25H31N3O4/c26-16-19-6-10-20(11-7-19)24(31)28-22(14-17-4-2-1-3-5-17)25(32)27-21-12-8-18(9-13-21)15-23(29)30/h1-5,8-9,12-13,19-20,22H,6-7,10-11,14-16,26H2,(H,27,32)(H,28,31)(H,29,30)/t19-,20-,22? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 6.20E+5 | 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 | |
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