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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50110024'   
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


(Homo sapiens (Human))		BDBM50110024
PNG
(CHEMBL345435 | Carbonic acid 2-{[(4-carbamimidoyl-...)
Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H33N5O7S/c1-17(2)14-36-25(33)37-15-21(30-38(34,35)16-19-6-4-3-5-7-19)24(32)29-13-22(31)28-12-18-8-10-20(11-9-18)23(26)27/h3-11,17,21,30H,12-16H2,1-2H3,(H3,26,27)(H,28,31)(H,29,32)/t21-/m1/s1
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PC sid
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Similars
PubMed
 4.00E+3n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of thrombin.

Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair