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BDBM50185282 CHEMBL3823916

SMILES: COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

InChI Key: InChIKey=LZNLVKVRHVELDP-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50185282   
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))
BDBM50185282
PNG
(CHEMBL3823916)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C25H31ClN5O3P/c1-31-13-11-17(12-14-31)34-18-9-10-20(22(15-18)33-2)29-25-27-16-19(26)24(30-25)28-21-7-5-6-8-23(21)35(3,4)32/h5-10,15-17H,11-14H2,1-4H3,(H2,27,28,29,30)
PDB
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 343n/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)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50185282
PNG
(CHEMBL3823916)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C25H31ClN5O3P/c1-31-13-11-17(12-14-31)34-18-9-10-20(22(15-18)33-2)29-25-27-16-19(26)24(30-25)28-21-7-5-6-8-23(21)35(3,4)32/h5-10,15-17H,11-14H2,1-4H3,(H2,27,28,29,30)
PDB

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UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.540n/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)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50185282
PNG
(CHEMBL3823916)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C25H31ClN5O3P/c1-31-13-11-17(12-14-31)34-18-9-10-20(22(15-18)33-2)29-25-27-16-19(26)24(30-25)28-21-7-5-6-8-23(21)35(3,4)32/h5-10,15-17H,11-14H2,1-4H3,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 87n/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)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair