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BDBM50046343 1-(4-Oxo-4-phenyl-butyryl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide::CHEMBL319227

SMILES: NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccccc1)C=O

InChI Key: InChIKey=KLXDWSBPQXNVAQ-UHFFFAOYNA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50046343   
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))
BDBM50046343
PNG
(1-(4-Oxo-4-phenyl-butyryl)-pyrrolidine-2-carboxyli...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccccc1)C=O
Show InChI InChI=1/C21H29N5O4/c22-21(23)24-12-4-8-16(14-27)25-19(29)17-9-5-13-26(17)20(30)18(28)11-10-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,25,29)(H4,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin 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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50046343
PNG
(1-(4-Oxo-4-phenyl-butyryl)-pyrrolidine-2-carboxyli...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccccc1)C=O
Show InChI InChI=1/C21H29N5O4/c22-21(23)24-12-4-8-16(14-27)25-19(29)17-9-5-13-26(17)20(30)18(28)11-10-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,25,29)(H4,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin 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)
BDBM50046343
PNG
(1-(4-Oxo-4-phenyl-butyryl)-pyrrolidine-2-carboxyli...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccccc1)C=O
Show InChI InChI=1/C21H29N5O4/c22-21(23)24-12-4-8-16(14-27)25-19(29)17-9-5-13-26(17)20(30)18(28)11-10-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,25,29)(H4,22,23,24)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 26n/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
Plasminogen


(Homo sapiens (Human))
BDBM50046343
PNG
(1-(4-Oxo-4-phenyl-butyryl)-pyrrolidine-2-carboxyli...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccccc1)C=O
Show InChI InChI=1/C21H29N5O4/c22-21(23)24-12-4-8-16(14-27)25-19(29)17-9-5-13-26(17)20(30)18(28)11-10-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,25,29)(H4,22,23,24)
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 7.65E+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