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BDBM50025779 CHEMBL3330850

SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCNCCc3s2)ncc1Cl

InChI Key: InChIKey=YKKMSYLSEXFJCA-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 = 50025779   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50025779
PNG
(CHEMBL3330850)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCNCCc3s2)ncc1Cl
Show InChI InChI=1S/C19H20ClN7OS/c1-21-17(28)11-4-2-3-5-13(11)24-16-12(20)10-23-18(26-16)27-19-25-14-6-8-22-9-7-15(14)29-19/h2-5,10,22H,6-9H2,1H3,(H,21,28)(H2,23,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


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


Eur J Med Chem 86: 438-48 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.003
BindingDB Entry DOI: 10.7270/Q2G73GBS
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50025779
PNG
(CHEMBL3330850)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCNCCc3s2)ncc1Cl
Show InChI InChI=1S/C19H20ClN7OS/c1-21-17(28)11-4-2-3-5-13(11)24-16-12(20)10-23-18(26-16)27-19-25-14-6-8-22-9-7-15(14)29-19/h2-5,10,22H,6-9H2,1H3,(H,21,28)(H2,23,24,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


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


Eur J Med Chem 86: 438-48 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.003
BindingDB Entry DOI: 10.7270/Q2G73GBS
More data for this
Ligand-Target Pair