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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404521'   
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))		BDBM50404521
PNG
(CHEMBL353107)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N5O4S/c1-30(2)22-14-6-12-20-19(22)11-7-15-23(20)35(32,33)29-21(13-8-16-28-25(26)27)24(31)34-17-18-9-4-3-5-10-18/h3-7,9-12,14-15,21,29H,8,13,16-17H2,1-2H3,(H4,26,27,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+6n/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