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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404517'   
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))		BDBM50404517
PNG
(CHEMBL354949)
Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2cc(ccc12)N(C)C
Show InChI InChI=1S/C19H27N5O4S/c1-24(2)14-9-10-15-13(12-14)6-4-8-17(15)29(26,27)23-16(18(25)28-3)7-5-11-22-19(20)21/h4,6,8-10,12,16,23H,5,7,11H2,1-3H3,(H4,20,21,22)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin

J Med Chem 23: 827-30 (1980)


BindingDB Entry DOI: 10.7270/Q2KH0PH2
More data for this
Ligand-Target Pair