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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50054503'   
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))
BDBM50054503
PNG
(CHEMBL263924 | N-((1S,2R)-3-Carbamimidoyl-2-hydrox...)
Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O
Show InChI InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro for inhibition of serine protease thrombin(FIIa).


J Med Chem 39: 4531-6 (1996)


Article DOI: 10.1021/jm960572n
BindingDB Entry DOI: 10.7270/Q28051QT
More data for this
Ligand-Target Pair