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BDBM50180350 2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine::CHEMBL198244

SMILES: CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(c2)-c2cnco2)n1

InChI Key: InChIKey=NJENIOUMKVKNRM-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 = 50180350   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50180350
PNG
(2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidopheny...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(c2)-c2cnco2)n1
Show InChI InChI=1S/C21H17N5O2/c1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20/h2-13H,1H3,(H,24,27)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB


J Med Chem 49: 407-16 (2006)


Article DOI: 10.1021/jm050983g
BindingDB Entry DOI: 10.7270/Q2KD1XH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50180350
PNG
(2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidopheny...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(c2)-c2cnco2)n1
Show InChI InChI=1S/C21H17N5O2/c1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20/h2-13H,1H3,(H,24,27)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human B-RAF


J Med Chem 49: 407-16 (2006)


Article DOI: 10.1021/jm050983g
BindingDB Entry DOI: 10.7270/Q2KD1XH9
More data for this
Ligand-Target Pair