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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein kinase FLT3' and Ligand = 'BDBM50177721'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50177721
PNG
(CHEMBL3814657)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)-c2c1
Show InChI InChI=1S/C24H21N5O/c1-28(2)8-3-9-29-14-17(13-26-29)16-5-7-18-20(11-16)23-22(24(18)30)19-6-4-15(12-25)10-21(19)27-23/h4-7,10-11,13-14,27H,3,8-9H2,1-2H3
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer glo...


ACS Med Chem Lett 7: 476-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50177721
PNG
(CHEMBL3814657)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)-c2c1
Show InChI InChI=1S/C24H21N5O/c1-28(2)8-3-9-29-14-17(13-26-29)16-5-7-18-20(11-16)23-22(24(18)30)19-6-4-15(12-25)10-21(19)27-23/h4-7,10-11,13-14,27H,3,8-9H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer g...


ACS Med Chem Lett 7: 476-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair