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BDBM50177716 CHEMBL3813873

SMILES: FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1

InChI Key: InChIKey=JGWRKYUXBBNENE-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50177716   
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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177716
PNG
(CHEMBL3813873)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP


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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177716
PNG
(CHEMBL3813873)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP


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