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BDBM50177715 CHEMBL3815054

SMILES: CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1

InChI Key: InChIKey=JRJKATLTRNXYCE-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 50177715   
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
Phosphorylase kinase


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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MMDB

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n/an/a 78n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of PHKGI (unknown origin) by kinomescan analysis


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


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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n/an/a 142n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin) by kinomescan analysis


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


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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n/an/a 936n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by kinomescan analysis


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


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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n/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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n/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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n/an/a 2n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability a after 3 days by cell titer glo assay


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


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant in human MOLM14 cells assessed as reduction in cell viability after 3 days by cell titer glo assay


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


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
PDB
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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50177715
PNG
(CHEMBL3815054)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q2HD7XJD
More data for this
Ligand-Target Pair