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BDBM50044325 CHEMBL3357444

SMILES: C[C@H](N)C(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1

InChI Key: InChIKey=AHNSCZJRLJXRAM-AWEZNQCLSA-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 = 50044325   
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))
BDBM50044325
PNG
(CHEMBL3357444)
Show SMILES C[C@H](N)C(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 |r|
Show InChI InChI=1S/C22H25ClN6O3S/c1-13(2)33(31,32)19-10-5-4-9-18(19)28-20-17(23)12-25-22(29-20)27-16-8-6-7-15(11-16)26-21(30)14(3)24/h4-14H,24H2,1-3H3,(H,26,30)(H2,25,27,28,29)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80n/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))
BDBM50044325
PNG
(CHEMBL3357444)
Show SMILES C[C@H](N)C(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 |r|
Show InChI InChI=1S/C22H25ClN6O3S/c1-13(2)33(31,32)19-10-5-4-9-18(19)28-20-17(23)12-25-22(29-20)27-16-8-6-7-15(11-16)26-21(30)14(3)24/h4-14H,24H2,1-3H3,(H,26,30)(H2,25,27,28,29)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6.90n/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