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BDBM50184468 CHEMBL3822858

SMILES: COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O

InChI Key: InChIKey=BLGAPWCYLDPMFH-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50184468   
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))
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
PDB
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PC cid
PC sid
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PubMed
n/an/a 76n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
KEGG

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PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
PDB
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PC sid
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PubMed
n/an/a 246n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184468
PNG
(CHEMBL3822858)
Show SMILES COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
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B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 494n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair