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BDBM149413 US8975249, I-13

SMILES: FC(F)Oc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCOCC1

InChI Key: InChIKey=KUYLULOJVXLEOJ-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 = 149413   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM149413
PNG
(US8975249, I-13)
Show SMILES FC(F)Oc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H22F5N5O4/c1-2-21(36)32-15-4-3-5-17(12-15)38-22-18(25(28,29)30)14-31-24(34-22)33-19-7-6-16(13-20(19)39-23(26)27)35-8-10-37-11-9-35/h2-7,12-14,23H,1,8-11H2,(H,32,36)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13xATP (AS001A) and ap...


US Patent US8975249 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DVS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM149413
PNG
(US8975249, I-13)
Show SMILES FC(F)Oc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H22F5N5O4/c1-2-21(36)32-15-4-3-5-17(12-15)38-22-18(25(28,29)30)14-31-24(34-22)33-19-7-6-16(13-20(19)39-23(26)27)35-8-10-37-11-9-35/h2-7,12-14,23H,1,8-11H2,(H,32,36)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 65n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13xATP (AS001A) and ap...


US Patent US8975249 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DVS
More data for this
Ligand-Target Pair