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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404542'   
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))		BDBM50404542
PNG
(CHEMBL166858)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccc(C)cc12
Show InChI InChI=1S/C24H35N5O3S/c1-3-18-11-14-29(15-12-18)23(30)21(7-5-13-27-24(25)26)28-33(31,32)22-8-4-6-19-10-9-17(2)16-20(19)22/h4,6,8-10,16,18,21,28H,3,5,7,11-15H2,1-2H3,(H4,25,26,27)
PDB

UniProtKB/SwissProt

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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