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BDBM50044470 CHEMBL3357465

SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)Cc3ccco3)c2)ncc1Cl

InChI Key: InChIKey=AQRHXRWJOUUDKH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50044470   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50044470
PNG
(CHEMBL3357465)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)Cc3ccco3)c2)ncc1Cl
Show InChI InChI=1S/C25H24ClN5O4S/c1-16(2)36(33,34)22-11-4-3-10-21(22)30-24-20(26)15-27-25(31-24)29-18-8-5-7-17(13-18)28-23(32)14-19-9-6-12-35-19/h3-13,15-16H,14H2,1-2H3,(H,28,32)(H2,27,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 60 mins by ELISA


J Med Chem 58: 197-211 (2015)


Article DOI: 10.1021/jm5005144
BindingDB Entry DOI: 10.7270/Q2FB54MQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50044470
PNG
(CHEMBL3357465)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)Cc3ccco3)c2)ncc1Cl
Show InChI InChI=1S/C25H24ClN5O4S/c1-16(2)36(33,34)22-11-4-3-10-21(22)30-24-20(26)15-27-25(31-24)29-18-8-5-7-17(13-18)28-23(32)14-19-9-6-12-35-19/h3-13,15-16H,14H2,1-2H3,(H,28,32)(H2,27,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 634n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) after 60 mins by ELISA


J Med Chem 58: 197-211 (2015)


Article DOI: 10.1021/jm5005144
BindingDB Entry DOI: 10.7270/Q2FB54MQ
More data for this
Ligand-Target Pair