BindingDB logo
myBDB logout

BDBM50046347 1-(4-Oxo-4-thiophen-2-yl-butyryl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide::CHEMBL443480

SMILES: NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccsc1)C=O

InChI Key: InChIKey=PHYKZCBUNVYJNH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50046347   
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
Prothrombin


(Homo sapiens (Human))		BDBM50046347
PNG
(1-(4-Oxo-4-thiophen-2-yl-butyryl)-pyrrolidine-2-ca...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccsc1)C=O
Show InChI InChI=1S/C19H27N5O4S/c20-19(21)22-8-1-3-14(11-25)23-17(27)15-4-2-9-24(15)18(28)16(26)6-5-13-7-10-29-12-13/h7,10-12,14-15H,1-6,8-9H2,(H,23,27)(H4,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 590n/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)


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