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BDBM50396074 CHEMBL2170585

SMILES: COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ccc3cn[nH]c3c2)n1

InChI Key: InChIKey=NKTQPBWZINMNES-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50396074   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396074
PNG
(CHEMBL2170585)
Show SMILES COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ccc3cn[nH]c3c2)n1
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-13(9-19(18)29-2)16-11-20-22-7-8-27(20)21(25-16)24-15-5-3-14-12-23-26-17(14)10-15/h3-12H,1-2H3,(H,23,26)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396074
PNG
(CHEMBL2170585)
Show SMILES COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ccc3cn[nH]c3c2)n1
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-13(9-19(18)29-2)16-11-20-22-7-8-27(20)21(25-16)24-15-5-3-14-12-23-26-17(14)10-15/h3-12H,1-2H3,(H,23,26)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.08E+3n/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK assessed as IL4 production by cell based assay


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair