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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50111725'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111725
PNG
(CHEMBL19689 | N-(5-Amino-pyrazin-2-ylmethyl)-2-(3-...)
Show SMILES Cc1cnc(NCC2(CCC2)c2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C23H26ClN7O2/c1-15-9-29-21(30-14-23(7-2-8-23)16-3-5-17(24)6-4-16)22(33)31(15)13-20(32)28-11-18-10-27-19(25)12-26-18/h3-6,9-10,12H,2,7-8,11,13-14H2,1H3,(H2,25,27)(H,28,32)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.5n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair