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BDBM50420964 CHEMBL2088100

SMILES: Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1

InChI Key: InChIKey=ZWCOUICPAQBKJI-UHFFFAOYSA-N

Data: 3 IC50  2 Kd

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 = 50420964   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50420964
PNG
(CHEMBL2088100)
Show SMILES Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)
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Article
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420964
PNG
(CHEMBL2088100)
Show SMILES Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)
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n/an/a 7.94n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420964
PNG
(CHEMBL2088100)
Show SMILES Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)
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n/an/an/a 69n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human recombinant FGFR1 (458 to 765) by isothermal titration calorimetric analysis


ACS Med Chem Lett 5: 166-71 (2014)


Article DOI: 10.1021/ml4004205
BindingDB Entry DOI: 10.7270/Q2NS0XVT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420964
PNG
(CHEMBL2088100)
Show SMILES Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)
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n/an/an/a 68n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human recombinant FGFR1 (458 to 765) by surface plasmon resonance analysis


ACS Med Chem Lett 5: 166-71 (2014)


Article DOI: 10.1021/ml4004205
BindingDB Entry DOI: 10.7270/Q2NS0XVT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50420964
PNG
(CHEMBL2088100)
Show SMILES Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)
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Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal His6-tagged human IGF1R (959 to end) expressed in baculovirus infected Sf21 cells after 80 mins by caliper mobil...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair