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BDBM50349687 CHEMBL1809044

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O

InChI Key: InChIKey=ZNLCRBCFRLCIFE-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 = 50349687   
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))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1R

Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of insulin-induced autophosphorylation of human insulin receptor expressed in CHO cells

Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor

Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a 9n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced autophosphorylation of human recombinant IGF1R expressed in mouse fibroblasts by high throughput assay

Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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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
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2

Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiological assay

Bioorg Med Chem Lett 21: 4698-701 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.093
BindingDB Entry DOI: 10.7270/Q2GF0TVK
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))		BDBM50349687
PNG
(CHEMBL1809044)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
PDB
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n/an/a 17n/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