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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50279771'   
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))		BDBM50279771
PNG
(CHEMBL217744 | [4-Benzyloxy-5-{5-benzyloxy-4-[5-be...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C73H66O21/c74-36-58-35-67(89-40-49-19-11-4-12-20-49)57(34-68(58)94-45-73(84)85)26-56-30-63(88-39-48-17-9-3-10-18-48)53(33-66(56)93-44-72(82)83)25-55-29-62(87-38-47-15-7-2-8-16-47)52(32-65(55)92-43-71(80)81)24-54-28-61(86-37-46-13-5-1-6-14-46)51(31-64(54)91-42-70(78)79)23-50-27-59(75)21-22-60(50)90-41-69(76)77/h1-22,27-35,74-75H,23-26,36-45H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
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PC sid
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Similars
Article
PubMed
 750n/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