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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM40341'   
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
Coagulation factor XII


(Homo sapiens (Human))
BDBM40341
PNG
(5-methoxy-3-(morpholine-4-carbonylamino)-1H-indole...)
Show SMILES CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1
Show InChI InChI=1S/C17H21N3O5/c1-3-25-16(21)15-14(19-17(22)20-6-8-24-9-7-20)12-10-11(23-2)4-5-13(12)18-15/h4-5,10,18H,3,6-9H2,1-2H3,(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BC3WZZ
More data for this
Ligand-Target Pair