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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404581'   
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))		BDBM50404581
PNG
(CHEMBL165694)
Show SMILES CC1CCCCN1C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C24H36N6O3S/c1-17-9-4-5-16-30(17)23(31)20(12-8-15-27-24(25)26)28-34(32,33)22-14-7-10-18-19(22)11-6-13-21(18)29(2)3/h6-7,10-11,13-14,17,20,28H,4-5,8-9,12,15-16H2,1-3H3,(H4,25,26,27)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30E+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