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BDBM50420951 CHEMBL2088257

SMILES: COCCCc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1

InChI Key: InChIKey=WSNDHEGGDQJEPA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50420951   
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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50420951
PNG
(CHEMBL2088257)
Show SMILES COCCCc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1
Show InChI InChI=1S/C18H23N7O2/c1-26-8-2-3-13-9-17(24-23-13)21-16-6-7-19-18(22-16)20-11-14-10-15(25-27-14)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H3,19,20,21,22,23,24)
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Article
PubMed
n/an/a 1.26E+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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420951
PNG
(CHEMBL2088257)
Show SMILES COCCCc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1
Show InChI InChI=1S/C18H23N7O2/c1-26-8-2-3-13-9-17(24-23-13)21-16-6-7-19-18(22-16)20-11-14-10-15(25-27-14)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H3,19,20,21,22,23,24)
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Article
PubMed
n/an/a 25.1n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50420951
PNG
(CHEMBL2088257)
Show SMILES COCCCc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1
Show InChI InChI=1S/C18H23N7O2/c1-26-8-2-3-13-9-17(24-23-13)21-16-6-7-19-18(22-16)20-11-14-10-15(25-27-14)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H3,19,20,21,22,23,24)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.58E+3n/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