BindingDB logo
myBDB logout

BDBM107673 1-(3-(6-Chloro-2-methylpyrimidin-4-ylamino)phenyl)- 3-(4-chloro-3-(trifluoromethyl)phenyl)urea (Compound 1)

SMILES: Cc1nc(Cl)cc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)n1

InChI Key: InChIKey=OQNAEPJXWHOMFY-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 = 107673   
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 [V600E]


(Homo sapiens (Human))
BDBM107673
PNG
(1-(3-(6-Chloro-2-methylpyrimidin-4-ylamino)phenyl)...)
Show SMILES Cc1nc(Cl)cc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)n1
Show InChI InChI=1S/C19H14Cl2F3N5O/c1-10-25-16(21)9-17(26-10)27-11-3-2-4-12(7-11)28-18(30)29-13-5-6-15(20)14(8-13)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 298n/an/an/an/a7.525



Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North One Road, Hongkou District, Shanghai, 200437, China



Assay Description
Compounds were prepared in DMSO at 10mmol/L and serially diluted in a 96-well plate as the source plate. The intermediate plate consists of 4µL...


Chem Biol Drug Des 83: 27-36 (2014)


Article DOI: 10.1111/cbdd.12198
BindingDB Entry DOI: 10.7270/Q2VH5MHM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM107673
PNG
(1-(3-(6-Chloro-2-methylpyrimidin-4-ylamino)phenyl)...)
Show SMILES Cc1nc(Cl)cc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)n1
Show InChI InChI=1S/C19H14Cl2F3N5O/c1-10-25-16(21)9-17(26-10)27-11-3-2-4-12(7-11)28-18(30)29-13-5-6-15(20)14(8-13)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 722n/an/an/an/a7.525



Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North One Road, Hongkou District, Shanghai, 200437, China



Assay Description
Compounds were prepared in DMSO at 10mmol/L and serially diluted in a 96-well plate as the source plate. The intermediate plate consists of 4µL...


Chem Biol Drug Des 83: 27-36 (2014)


Article DOI: 10.1111/cbdd.12198
BindingDB Entry DOI: 10.7270/Q2VH5MHM
More data for this
Ligand-Target Pair