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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50070732'   
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))		BDBM50070732
PNG
(CHEMBL2372662 | 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](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C33H45N5O10/c1-3-19(2)28(38-30(44)23(11-7-8-16-34)35-29(43)22-18-21(39)12-14-26(22)40)32(46)37-25(17-20-9-5-4-6-10-20)31(45)36-24(33(47)48)13-15-27(41)42/h4-6,9-10,12,14,18-19,23-25,28,39-40H,3,7-8,11,13,15-17,34H2,1-2H3,(H,35,43)(H,36,45)(H,37,46)(H,38,44)(H,41,42)(H,47,48)/t19?,23-,24-,25-,28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+5n/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