new BindingDB logo
myBDB logout

BDBM50265873 7-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)isoindolin-1-one::CHEMBL517163

SMILES: COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc3CNC(=O)c23)c2cc[nH]c2n1

InChI Key: InChIKey=KTQGBACJIGNCAB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50265873   
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))
BDBM50265873
PNG
(7-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc3CNC(=O)c23)c2cc[nH]c2n1
Show InChI InChI=1S/C27H28N8O3/c1-34(2)14-22(36)35-10-8-15-11-21(38-3)19(12-20(15)35)31-27-32-24-17(7-9-28-24)25(33-27)30-18-6-4-5-16-13-29-26(37)23(16)18/h4-7,9,11-12H,8,10,13-14H2,1-3H3,(H,29,37)(H3,28,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50265873
PNG
(7-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc3CNC(=O)c23)c2cc[nH]c2n1
Show InChI InChI=1S/C27H28N8O3/c1-34(2)14-22(36)35-10-8-15-11-21(38-3)19(12-20(15)35)31-27-32-24-17(7-9-28-24)25(33-27)30-18-6-4-5-16-13-29-26(37)23(16)18/h4-7,9,11-12H,8,10,13-14H2,1-3H3,(H,29,37)(H3,28,30,31,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50265873
PNG
(7-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc3CNC(=O)c23)c2cc[nH]c2n1
Show InChI InChI=1S/C27H28N8O3/c1-34(2)14-22(36)35-10-8-15-11-21(38-3)19(12-20(15)35)31-27-32-24-17(7-9-28-24)25(33-27)30-18-6-4-5-16-13-29-26(37)23(16)18/h4-7,9,11-12H,8,10,13-14H2,1-3H3,(H,29,37)(H3,28,30,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3K


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265873
PNG
(7-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc3CNC(=O)c23)c2cc[nH]c2n1
Show InChI InChI=1S/C27H28N8O3/c1-34(2)14-22(36)35-10-8-15-11-21(38-3)19(12-20(15)35)31-27-32-24-17(7-9-28-24)25(33-27)30-18-6-4-5-16-13-29-26(37)23(16)18/h4-7,9,11-12H,8,10,13-14H2,1-3H3,(H,29,37)(H3,28,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R phosphorylation by cellular assay


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair