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BDBM50111720 CHEMBL19619::N-(4-Carbamimidoyl-3-fluoro-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=N)c(F)c1

InChI Key: InChIKey=MUCFNOZSTPFMCD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111720   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50111720
PNG
(CHEMBL19619 | N-(4-Carbamimidoyl-3-fluoro-benzyl)-...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.60n/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