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BDBM50302904 CHEMBL568138::N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine

SMILES: COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1

InChI Key: InChIKey=DPSHYRRSRHVRRE-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50302904   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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Article
PubMed
200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair