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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404594'   
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
Prothrombin


(Bos taurus (Bovine))		BDBM50404594
PNG
(CHEMBL354149)
Show SMILES NC(=N)NCCCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCCCCC1
Show InChI InChI=1S/C22H31N5O3S/c23-22(24)25-14-8-12-19(21(28)27-15-5-1-2-6-16-27)26-31(29,30)20-13-7-10-17-9-3-4-11-18(17)20/h3-4,7,9-11,13,19,26H,1-2,5-6,8,12,14-16H2,(H4,23,24,25)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.00E+9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.

J Med Chem 23: 830-6 (1980)


BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair