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BDBM50349690 CHEMBL1809047

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1

InChI Key: InChIKey=MMJIWYMCQKGGQO-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 = 50349690   
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 I receptor


(Homo sapiens (Human))
BDBM50349690
PNG
(CHEMBL1809047)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1
Show InChI InChI=1S/C22H20ClN7O2/c1-32-18-10-14(29-9-7-24-20(31)13-29)5-6-16(18)27-22-26-11-15(23)21(28-22)17-12-25-19-4-2-3-8-30(17)19/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,31)(H,26,27,28)
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Article
PubMed
n/an/a 39n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of auto-phosphorylation of IGFR1 by cell based assay


Bioorg Med Chem Lett 21: 4702-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.090
BindingDB Entry DOI: 10.7270/Q2QZ2B9Q
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50349690
PNG
(CHEMBL1809047)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1
Show InChI InChI=1S/C22H20ClN7O2/c1-32-18-10-14(29-9-7-24-20(31)13-29)5-6-16(18)27-22-26-11-15(23)21(28-22)17-12-25-19-4-2-3-8-30(17)19/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,31)(H,26,27,28)
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of auto-phosphorylation of IGFR1


Bioorg Med Chem Lett 21: 4702-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.090
BindingDB Entry DOI: 10.7270/Q2QZ2B9Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50349690
PNG
(CHEMBL1809047)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1
Show InChI InChI=1S/C22H20ClN7O2/c1-32-18-10-14(29-9-7-24-20(31)13-29)5-6-16(18)27-22-26-11-15(23)21(28-22)17-12-25-19-4-2-3-8-30(17)19/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,31)(H,26,27,28)
PDB
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Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 21: 4702-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.090
BindingDB Entry DOI: 10.7270/Q2QZ2B9Q
More data for this
Ligand-Target Pair