BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50048940   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230326
PNG
(CHEMBL4060950)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:18|
Show InChI InChI=1S/C28H25Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h2-3,7-15,20H,4-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b3-2+,12-7+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230325
PNG
(CHEMBL4062923)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C28H27Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h7-15,20H,2-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b12-7+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230340
PNG
(CHEMBL4087980)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\COC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C27H24ClN9O5/c1-41-26(39)31-18-7-8-19-21(13-18)34-27(40)42-11-3-2-4-20(25-29-14-22(19)33-25)32-24(38)10-5-16-12-17(28)6-9-23(16)37-15-30-35-36-37/h2-3,5-10,12-15,20H,4,11H2,1H3,(H,29,33)(H,31,39)(H,32,38)(H,34,40)/b3-2+,10-5+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.880n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230324
PNG
(CHEMBL4090854)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C28H28ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230327
PNG
(CHEMBL4082071)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCOC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C27H26ClN9O5/c1-41-26(39)31-18-7-8-19-21(13-18)34-27(40)42-11-3-2-4-20(25-29-14-22(19)33-25)32-24(38)10-5-16-12-17(28)6-9-23(16)37-15-30-35-36-37/h5-10,12-15,20H,2-4,11H2,1H3,(H,29,33)(H,31,39)(H,32,38)(H,34,40)/b10-5+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230339
PNG
(CHEMBL4098577)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,c:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2-,12-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230329
PNG
(CHEMBL4079002)
Show SMILES CCC(=O)Nc1cc(NC(=O)OC)ccc1-c1c[nH]c(n1)[C@H](CC=C)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C28H28ClN9O4/c1-4-6-21(33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38)27-30-15-23(35-27)20-10-9-19(32-28(41)42-3)14-22(20)34-25(39)5-2/h4,7-16,21H,1,5-6H2,2-3H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230332
PNG
(CHEMBL4063872)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C28H28Cl2N8O3/c1-41-28(40)32-20-10-11-21-17(15-20)6-4-2-3-5-7-22(27-34-25(21)26(30)35-27)33-24(39)13-8-18-14-19(29)9-12-23(18)38-16-31-36-37-38/h8-16,22H,2-7H2,1H3,(H,32,40)(H,33,39)(H,34,35)/b13-8+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230335
PNG
(CHEMBL4072590)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasma kallikrein


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230323
PNG
(CHEMBL4101043)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C28H28Cl2N8O4/c1-41-28(40)32-19-9-10-20-23(15-19)42-13-5-3-2-4-6-21(27-34-25(20)26(30)35-27)33-24(39)12-7-17-14-18(29)8-11-22(17)38-16-31-36-37-38/h7-12,14-16,21H,2-6,13H2,1H3,(H,32,40)(H,33,39)(H,34,35)/b12-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142858
PNG
(US10487086, Example 6 | US11136327, Example 6 | US...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230338
PNG
(CHEMBL4083064)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C28H29ClN8O4/c1-40-28(39)32-20-9-10-21-23-16-30-27(34-23)22(6-4-2-3-5-13-41-25(21)15-20)33-26(38)12-7-18-14-19(29)8-11-24(18)37-17-31-35-36-37/h7-12,14-17,22H,2-6,13H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b12-7+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
159n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230333
PNG
(CHEMBL4104659)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C29H29ClN8O3/c1-41-29(40)33-22-11-12-23-19(16-22)7-5-3-2-4-6-8-24(28-31-17-25(23)35-28)34-27(39)14-9-20-15-21(30)10-13-26(20)38-18-32-36-37-38/h4,6,9-18,24H,2-3,5,7-8H2,1H3,(H,31,35)(H,33,40)(H,34,39)/b6-4+,14-9+/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
184n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142859
PNG
(US10487086, Example 9 | US11136327, Example 9 | US...)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230330
PNG
(CHEMBL4092164)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C27H24ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h2-3,6-15,20H,4-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b3-2+,11-6+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
264n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230331
PNG
(CHEMBL4081356)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C27H27ClN8O4/c1-39-27(38)31-19-8-9-20-22-15-29-26(33-22)21(5-3-2-4-12-40-24(20)14-19)32-25(37)11-6-17-13-18(28)7-10-23(17)36-16-30-34-35-36/h6-11,13-16,21H,2-5,12H2,1H3,(H,29,33)(H,31,38)(H,32,37)/b11-6+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230328
PNG
(CHEMBL4059685)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H28ClN9O3/c1-41-28(40)33-20-9-10-21-23(15-20)30-13-5-3-2-4-6-22(27-31-16-24(21)35-27)34-26(39)12-7-18-14-19(29)8-11-25(18)38-17-32-36-37-38/h2,4,7-12,14-17,22,30H,3,5-6,13H2,1H3,(H,31,35)(H,33,40)(H,34,39)/b4-2+,12-7+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
514n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
519n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230334
PNG
(CHEMBL4086754)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C29H31ClN8O3/c1-41-29(40)33-22-11-12-23-19(16-22)7-5-3-2-4-6-8-24(28-31-17-25(23)35-28)34-27(39)14-9-20-15-21(30)10-13-26(20)38-18-32-36-37-38/h9-18,24H,2-8H2,1H3,(H,31,35)(H,33,40)(H,34,39)/b14-9+/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142857
PNG
(US10487086, Example 4 | US11136327, Example 4 | US...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
636n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/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
1.67E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>3.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>3.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.19E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230336
PNG
(CHEMBL4093309)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H27ClN8O4/c1-40-28(39)32-20-9-10-21-23-16-30-27(34-23)22(6-4-2-3-5-13-41-25(21)15-20)33-26(38)12-7-18-14-19(29)8-11-24(18)37-17-31-35-36-37/h2,4,7-12,14-17,22H,3,5-6,13H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b4-2+,12-7+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.92E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/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
5.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/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

Article
PubMed
>6.15E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator using methylsulfonyl-D-cyclohexylalanyl-GlyArg-pNA as substrate after 10 to 120 mins at 37 degC by s...


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>6.15E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator using methylsulfonyl-D-cyclohexylalanyl-GlyArg-pNA as substrate after 10 to 120 mins at 37 degC by s...


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>6.15E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator using methylsulfonyl-D-cyclohexylalanyl-GlyArg-pNA as substrate after 10 to 120 mins at 37 degC by s...


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.15E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.15E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.15E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/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
>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotom...


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotom...


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotom...


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.34E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/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

Article
PubMed
>1.42E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-(D)-Val-Leu-LyspNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.51E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.51E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.52E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-(D)-Val-Leu-LyspNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.52E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-(D)-Val-Leu-LyspNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50230322
PNG
(CHEMBL4071545)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/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
>2.15E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50063669
PNG
(CHEMBL3398641)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.15E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM47108
PNG
(US10487086, Example 10 | US11136327, Example 10 | ...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>2.15E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>
Jump to: