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SMILES: COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

InChI Key: InChIKey=FXYPQFBJRKMLDS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50185235   
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 receptor


(Homo sapiens (Human))
BDBM50185235
PNG
(CHEMBL3823836)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C30H41ClN7O2P/c1-21-18-25(27(40-3)19-26(21)38-12-10-22(11-13-38)37-16-14-36(2)15-17-37)34-30-32-20-23(31)29(35-30)33-24-8-6-7-9-28(24)41(4,5)39/h6-9,18-20,22H,10-17H2,1-5H3,(H2,32,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 171n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50185235
PNG
(CHEMBL3823836)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C30H41ClN7O2P/c1-21-18-25(27(40-3)19-26(21)38-12-10-22(11-13-38)37-16-14-36(2)15-17-37)34-30-32-20-23(31)29(35-30)33-24-8-6-7-9-28(24)41(4,5)39/h6-9,18-20,22H,10-17H2,1-5H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.860n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50185235
PNG
(CHEMBL3823836)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C30H41ClN7O2P/c1-21-18-25(27(40-3)19-26(21)38-12-10-22(11-13-38)37-16-14-36(2)15-17-37)34-30-32-20-23(31)29(35-30)33-24-8-6-7-9-28(24)41(4,5)39/h6-9,18-20,22H,10-17H2,1-5H3,(H2,32,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair