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BDBM316971 Propane-1-sulfonic acid [2,4- difluoro-3-(4-hydroxy-7H- pyrrolo[2,3-d]pyrimidine-5- carbonyl)-phenyl]-amide::US9617267, Compound P-1022

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F

InChI Key: InChIKey=VMFPIDBYAMRWMW-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 = 316971   
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
bRAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM316971
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4-hydrox...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Show InChI InChI=1S/C16H14F2N4O4S/c1-2-5-27(25,26)22-10-4-3-9(17)12(13(10)18)14(23)8-6-19-15-11(8)16(24)21-7-20-15/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (RAF-1)


(Homo sapiens (Human))
BDBM316971
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4-hydrox...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Show InChI InChI=1S/C16H14F2N4O4S/c1-2-5-27(25,26)22-10-4-3-9(17)12(13(10)18)14(23)8-6-19-15-11(8)16(24)21-7-20-15/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM316971
PNG
(Propane-1-sulfonic acid [2,4- difluoro-3-(4-hydrox...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Show InChI InChI=1S/C16H14F2N4O4S/c1-2-5-27(25,26)22-10-4-3-9(17)12(13(10)18)14(23)8-6-19-15-11(8)16(24)21-7-20-15/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20,21,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair