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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50070744'   
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))		BDBM50070744
PNG
(CHEMBL2372725 | Nazumamide A (NAZA) analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H48N6O8/c1-3-23(2)34(45-36(49)30(15-9-10-18-40)42-35(48)28-21-26(46)16-17-33(28)47)38(51)43-31(19-24-11-5-4-6-12-24)37(50)44-32(39(52)53)20-25-22-41-29-14-8-7-13-27(25)29/h4-8,11-14,16-17,21-23,30-32,34,41,46-47H,3,9-10,15,18-20,40H2,1-2H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,52,53)/t23?,30-,31-,32-,34-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.30E+4n/an/an/an/a8.3n/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.

Bioorg Med Chem Lett 8: 1669-72 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CV8
More data for this
Ligand-Target Pair