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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50034589'   
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))		BDBM50034589
PNG
(CHEMBL288689 | Peptide boronate)
Show SMILES CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C42H52BN3O6/c1-27(2)37(43-51-34-25-31-24-33(41(31,3)4)42(34,5)52-43)45-38(47)32-22-15-23-46(32)39(48)36(44-40(49)50-26-28-16-9-6-10-17-28)35(29-18-11-7-12-19-29)30-20-13-8-14-21-30/h6-14,16-21,27,31-37H,15,22-26H2,1-5H3,(H,44,49)(H,45,47)/t31?,32-,33?,34+,36-,37?,42-/m0/s1
PDB

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Similars
PubMed
 19n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against thrombin

J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair