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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50060332'   
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))		BDBM50060332
PNG
(CHEMBL215927)
Show SMILES COCCOCOc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)ccc6OCC(O)=O)cc5OCOCCOC)cc4OCC(O)=O)cc3OCOCCOC)cc2OCC(O)=O)c(OC)cc1C
Show InChI InChI=1S/C66H80O24/c1-41-19-55(77-6)43(26-54(41)88-38-82-16-13-73-2)21-48-27-56(78-7)45(31-60(48)86-36-65(69)70)24-51-30-59(81-10)47(34-63(51)90-40-84-18-15-75-4)22-49-28-57(79-8)46(32-61(49)87-37-66(71)72)23-50-29-58(80-9)44(33-62(50)89-39-83-17-14-74-3)20-42-25-52(76-5)11-12-53(42)85-35-64(67)68/h11-12,19,25-34H,13-18,20-24,35-40H2,1-10H3,(H,67,68)(H,69,70)(H,71,72)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 240n/an/an/an/an/an/a7.5n/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of thrombin at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Bz-Phe-Val-Arg-pNA.

J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair