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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404633'   
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))		BDBM50404633
PNG
(CHEMBL165767)
Show SMILES COC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C24H36N6O4S/c1-29(2)21-10-4-8-19-18(21)7-5-11-22(19)35(32,33)28-20(9-6-14-27-24(25)26)23(31)30-15-12-17(34-3)13-16-30/h4-5,7-8,10-11,17,20,28H,6,9,12-16H2,1-3H3,(H4,25,26,27)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.00E+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