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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mast/stem cell growth factor receptor Kit' and Ligand = 'BDBM50242179'   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50242179
PNG
(CHEMBL4093459)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccn4ccnc4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H28F3N5O/c1-21-3-5-24(18-23(21)6-4-22-9-11-38-12-10-34-28(38)17-22)29(39)35-26-8-7-25(27(19-26)30(31,32)33)20-37-15-13-36(2)14-16-37/h3,5,7-12,17-19H,13-16,20H2,1-2H3,(H,35,39)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8801-8815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00841
BindingDB Entry DOI: 10.7270/Q2VM4FN0
More data for this
Ligand-Target Pair