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BDBM50334602 4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)pyrimidin-4-ylamino)-3-methoxybenzamide::CHEMBL1642261

SMILES: COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1

InChI Key: InChIKey=NJPLUFOJYZAGOK-UHFFFAOYSA-N

Data: 3 IC50

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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 = 50334602   
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))
BDBM50334602
PNG
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33)
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n/an/a 573n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334602
PNG
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334602
PNG
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair