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BDBM50529769 CHEMBL4443643

SMILES: CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)-c2ccc3cn[nH]c3c2)c1

InChI Key: InChIKey=UEMCXDRGXXMDCL-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 = 50529769   
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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50529769
PNG
(CHEMBL4443643)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)-c2ccc3cn[nH]c3c2)c1
Show InChI InChI=1S/C24H23N3O/c1-15(2)17-5-4-6-21(11-17)26-24(28)19-8-7-16(3)22(12-19)18-9-10-20-14-25-27-23(20)13-18/h4-15H,1-3H3,(H,25,27)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) using poly (Glu, Tyr) 4:1 substrate after 60 mins by ELISA


Eur J Med Chem 163: 671-689 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.015
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50529769
PNG
(CHEMBL4443643)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)-c2ccc3cn[nH]c3c2)c1
Show InChI InChI=1S/C24H23N3O/c1-15(2)17-5-4-6-21(11-17)26-24(28)19-8-7-16(3)22(12-19)18-9-10-20-14-25-27-23(20)13-18/h4-15H,1-3H3,(H,25,27)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) using poly (Glu, Tyr) 4:1 substrate after 60 mins by ELISA


Eur J Med Chem 163: 671-689 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.015
More data for this
Ligand-Target Pair