Found 4 hits for monomerid = 50032884 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032884
(CHEMBL3355673)Show SMILES OC(=O)C(F)(F)F.CN(C)C(=O)c1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:23.24,34.35,wD:37.39,(24.46,-10.74,;25.79,-11.51,;25.79,-13.05,;27.12,-10.74,;28.46,-11.51,;28.45,-9.95,;27.12,-9.2,;27.89,-18.72,;28.51,-17.31,;30.04,-17.15,;27.6,-16.07,;28.22,-14.66,;26.07,-16.23,;25.15,-14.99,;23.63,-15.15,;23.01,-16.56,;23.91,-17.8,;25.44,-17.64,;21.48,-16.71,;20.71,-18.05,;19.21,-17.73,;19.05,-16.2,;20.45,-15.57,;17.72,-15.43,;17.72,-13.89,;19.05,-13.12,;20.38,-13.89,;21.72,-13.12,;21.72,-11.58,;20.37,-10.81,;19.05,-11.58,;16.38,-16.2,;15.05,-15.43,;15.05,-13.89,;13.72,-16.2,;13.72,-17.74,;12.38,-18.51,;11.04,-17.73,;9.7,-18.5,;8.38,-17.72,;11.05,-16.19,;12.39,-15.43,)| Show InChI InChI=1S/C28H35N5O2.C2HF3O2/c1-33(2)28(35)23-14-12-21(13-15-23)25-18-30-26(31-25)24(16-19-6-4-3-5-7-19)32-27(34)22-10-8-20(17-29)9-11-22;3-2(4,5)1(6)7/h3-7,12-15,18,20,22,24H,8-11,16-17,29H2,1-2H3,(H,30,31)(H,32,34);(H,6,7)/t20-,22-,24-;/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
| 2.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50032884
(CHEMBL3355673)Show SMILES OC(=O)C(F)(F)F.CN(C)C(=O)c1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:23.24,34.35,wD:37.39,(24.46,-10.74,;25.79,-11.51,;25.79,-13.05,;27.12,-10.74,;28.46,-11.51,;28.45,-9.95,;27.12,-9.2,;27.89,-18.72,;28.51,-17.31,;30.04,-17.15,;27.6,-16.07,;28.22,-14.66,;26.07,-16.23,;25.15,-14.99,;23.63,-15.15,;23.01,-16.56,;23.91,-17.8,;25.44,-17.64,;21.48,-16.71,;20.71,-18.05,;19.21,-17.73,;19.05,-16.2,;20.45,-15.57,;17.72,-15.43,;17.72,-13.89,;19.05,-13.12,;20.38,-13.89,;21.72,-13.12,;21.72,-11.58,;20.37,-10.81,;19.05,-11.58,;16.38,-16.2,;15.05,-15.43,;15.05,-13.89,;13.72,-16.2,;13.72,-17.74,;12.38,-18.51,;11.04,-17.73,;9.7,-18.5,;8.38,-17.72,;11.05,-16.19,;12.39,-15.43,)| Show InChI InChI=1S/C28H35N5O2.C2HF3O2/c1-33(2)28(35)23-14-12-21(13-15-23)25-18-30-26(31-25)24(16-19-6-4-3-5-7-19)32-27(34)22-10-8-20(17-29)9-11-22;3-2(4,5)1(6)7/h3-7,12-15,18,20,22,24H,8-11,16-17,29H2,1-2H3,(H,30,31)(H,32,34);(H,6,7)/t20-,22-,24-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50032884
(CHEMBL3355673)Show SMILES OC(=O)C(F)(F)F.CN(C)C(=O)c1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:23.24,34.35,wD:37.39,(24.46,-10.74,;25.79,-11.51,;25.79,-13.05,;27.12,-10.74,;28.46,-11.51,;28.45,-9.95,;27.12,-9.2,;27.89,-18.72,;28.51,-17.31,;30.04,-17.15,;27.6,-16.07,;28.22,-14.66,;26.07,-16.23,;25.15,-14.99,;23.63,-15.15,;23.01,-16.56,;23.91,-17.8,;25.44,-17.64,;21.48,-16.71,;20.71,-18.05,;19.21,-17.73,;19.05,-16.2,;20.45,-15.57,;17.72,-15.43,;17.72,-13.89,;19.05,-13.12,;20.38,-13.89,;21.72,-13.12,;21.72,-11.58,;20.37,-10.81,;19.05,-11.58,;16.38,-16.2,;15.05,-15.43,;15.05,-13.89,;13.72,-16.2,;13.72,-17.74,;12.38,-18.51,;11.04,-17.73,;9.7,-18.5,;8.38,-17.72,;11.05,-16.19,;12.39,-15.43,)| Show InChI InChI=1S/C28H35N5O2.C2HF3O2/c1-33(2)28(35)23-14-12-21(13-15-23)25-18-30-26(31-25)24(16-19-6-4-3-5-7-19)32-27(34)22-10-8-20(17-29)9-11-22;3-2(4,5)1(6)7/h3-7,12-15,18,20,22,24H,8-11,16-17,29H2,1-2H3,(H,30,31)(H,32,34);(H,6,7)/t20-,22-,24-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >8.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50032884
(CHEMBL3355673)Show SMILES OC(=O)C(F)(F)F.CN(C)C(=O)c1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:23.24,34.35,wD:37.39,(24.46,-10.74,;25.79,-11.51,;25.79,-13.05,;27.12,-10.74,;28.46,-11.51,;28.45,-9.95,;27.12,-9.2,;27.89,-18.72,;28.51,-17.31,;30.04,-17.15,;27.6,-16.07,;28.22,-14.66,;26.07,-16.23,;25.15,-14.99,;23.63,-15.15,;23.01,-16.56,;23.91,-17.8,;25.44,-17.64,;21.48,-16.71,;20.71,-18.05,;19.21,-17.73,;19.05,-16.2,;20.45,-15.57,;17.72,-15.43,;17.72,-13.89,;19.05,-13.12,;20.38,-13.89,;21.72,-13.12,;21.72,-11.58,;20.37,-10.81,;19.05,-11.58,;16.38,-16.2,;15.05,-15.43,;15.05,-13.89,;13.72,-16.2,;13.72,-17.74,;12.38,-18.51,;11.04,-17.73,;9.7,-18.5,;8.38,-17.72,;11.05,-16.19,;12.39,-15.43,)| Show InChI InChI=1S/C28H35N5O2.C2HF3O2/c1-33(2)28(35)23-14-12-21(13-15-23)25-18-30-26(31-25)24(16-19-6-4-3-5-7-19)32-27(34)22-10-8-20(17-29)9-11-22;3-2(4,5)1(6)7/h3-7,12-15,18,20,22,24H,8-11,16-17,29H2,1-2H3,(H,30,31)(H,32,34);(H,6,7)/t20-,22-,24-;/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
| >1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometric analysis |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
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