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BDBM50430862 CHEMBL2336040

SMILES: COc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1

InChI Key: InChIKey=XPQJKJDXIUJKQM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50430862   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50430862
PNG
(CHEMBL2336040)
Show SMILES COc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Show InChI InChI=1S/C23H18N4O2/c1-16-6-8-19(23(28)26-20-4-3-5-21(13-20)29-2)12-18(16)9-7-17-14-24-22-10-11-25-27(22)15-17/h3-6,8,10-15H,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-labeled poly GAT as substrate incubated for 1 hr prior to substrate addition measured after 1 h...


J Med Chem 56: 3281-95 (2013)


Article DOI: 10.1021/jm301824k
BindingDB Entry DOI: 10.7270/Q22V2HHJ
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50430862
PNG
(CHEMBL2336040)
Show SMILES COc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Show InChI InChI=1S/C23H18N4O2/c1-16-6-8-19(23(28)26-20-4-3-5-21(13-20)29-2)12-18(16)9-7-17-14-24-22-10-11-25-27(22)15-17/h3-6,8,10-15H,1-2H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) using fluorescein-labeled poly GAT as substrate incubated for 1 hr prior to substrate addition measured after 1 h...


J Med Chem 56: 3281-95 (2013)


Article DOI: 10.1021/jm301824k
BindingDB Entry DOI: 10.7270/Q22V2HHJ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50430862
PNG
(CHEMBL2336040)
Show SMILES COc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Show InChI InChI=1S/C23H18N4O2/c1-16-6-8-19(23(28)26-20-4-3-5-21(13-20)29-2)12-18(16)9-7-17-14-24-22-10-11-25-27(22)15-17/h3-6,8,10-15H,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin) using Ser/Thr 6 peptide as substrate incubated for 1 hr prior to substrate addition measured after 2 hrs by FRET...


J Med Chem 56: 3281-95 (2013)


Article DOI: 10.1021/jm301824k
BindingDB Entry DOI: 10.7270/Q22V2HHJ
More data for this
Ligand-Target Pair