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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein kinase FLT3' and Ligand = 'BDBM50519725'   
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))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 ITD/D835Y double mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD/D835Y autophosphory...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair