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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50076951'   
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))		BDBM50076951
PNG
(((R)-2-Cyclohexyl-1-{methyl-[(2-oxo-1-piperidin-4-...)
Show SMILES CN(CC(=O)NC(CC1CCNCC1)C(=O)c1nccs1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O
Show InChI InChI=1S/C25H39N5O5S/c1-30(25(35)20(28-15-22(32)33)14-17-5-3-2-4-6-17)16-21(31)29-19(13-18-7-9-26-10-8-18)23(34)24-27-11-12-36-24/h11-12,17-20,26,28H,2-10,13-16H2,1H3,(H,29,31)(H,32,33)/t19?,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin with respect to Argatroban

Bioorg Med Chem Lett 9: 1227-32 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4K9J
More data for this
Ligand-Target Pair