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BDBM50046345 2-{[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidine-1-carbonyl]-amino}-3-phenyl-propionic acid::CHEMBL319396

SMILES: NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)N[C@H](Cc1ccccc1)C(O)=O)C=O

InChI Key: InChIKey=NIMDCAKAZPDUEO-AQFXKWCLSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50046345   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50046345
PNG
(2-{[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrol...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)N[C@H](Cc1ccccc1)C(O)=O)C=O
Show InChI InChI=1S/C21H30N6O5/c22-20(23)24-10-4-8-15(13-28)25-18(29)17-9-5-11-27(17)21(32)26-16(19(30)31)12-14-6-2-1-3-7-14/h1-3,6-7,13,15-17H,4-5,8-12H2,(H,25,29)(H,26,32)(H,30,31)(H4,22,23,24)/t15?,16-,17?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 49n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit thrombin hydrolysis of the chromogenic substrate


J Med Chem 36: 300-3 (1993)


Article DOI: 10.1021/jm00054a018
BindingDB Entry DOI: 10.7270/Q2JM28Q8
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50046345
PNG
(2-{[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrol...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)N[C@H](Cc1ccccc1)C(O)=O)C=O
Show InChI InChI=1S/C21H30N6O5/c22-20(23)24-10-4-8-15(13-28)25-18(29)17-9-5-11-27(17)21(32)26-16(19(30)31)12-14-6-2-1-3-7-14/h1-3,6-7,13,15-17H,4-5,8-12H2,(H,25,29)(H,26,32)(H,30,31)(H4,22,23,24)/t15?,16-,17?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit thrombin hydrolysis of the chromogenic substrate


J Med Chem 36: 300-3 (1993)


Article DOI: 10.1021/jm00054a018
BindingDB Entry DOI: 10.7270/Q2JM28Q8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50046345
PNG
(2-{[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrol...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)N[C@H](Cc1ccccc1)C(O)=O)C=O
Show InChI InChI=1S/C21H30N6O5/c22-20(23)24-10-4-8-15(13-28)25-18(29)17-9-5-11-27(17)21(32)26-16(19(30)31)12-14-6-2-1-3-7-14/h1-3,6-7,13,15-17H,4-5,8-12H2,(H,25,29)(H,26,32)(H,30,31)(H4,22,23,24)/t15?,16-,17?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.35E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasmin was determined


J Med Chem 36: 300-3 (1993)


Article DOI: 10.1021/jm00054a018
BindingDB Entry DOI: 10.7270/Q2JM28Q8
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50046345
PNG
(2-{[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrol...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)N[C@H](Cc1ccccc1)C(O)=O)C=O
Show InChI InChI=1S/C21H30N6O5/c22-20(23)24-10-4-8-15(13-28)25-18(29)17-9-5-11-27(17)21(32)26-16(19(30)31)12-14-6-2-1-3-7-14/h1-3,6-7,13,15-17H,4-5,8-12H2,(H,25,29)(H,26,32)(H,30,31)(H4,22,23,24)/t15?,16-,17?/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin was determined


J Med Chem 36: 300-3 (1993)


Article DOI: 10.1021/jm00054a018
BindingDB Entry DOI: 10.7270/Q2JM28Q8
More data for this
Ligand-Target Pair