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BDBM287612 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(7-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[1,2-f][1,2,4]triazin-2-ylamino)phenyl)acrylamide::US10085983, Compound J-7

SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4n(C)ccc4c3)n2n1

InChI Key: InChIKey=WICFMJVCJSYGLX-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 = 287612   
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))
BDBM287612
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4n(C)ccc4c3)n2n1
Show InChI InChI=1S/C29H33N9O2/c1-7-27(39)32-22-15-23(26(40-6)16-25(22)36(4)13-12-35(2)3)33-29-31-18-21-8-9-24(38(21)34-29)20-14-19-10-11-37(5)28(19)30-17-20/h7-11,14-18H,1,12-13H2,2-6H3,(H,32,39)(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/a25



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)


BindingDB Entry DOI: 10.7270/Q28W3GBG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor (EGFR)(T790M/L858R)


(Homo sapiens (Human))
BDBM287612
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4n(C)ccc4c3)n2n1
Show InChI InChI=1S/C29H33N9O2/c1-7-27(39)32-22-15-23(26(40-6)16-25(22)36(4)13-12-35(2)3)33-29-31-18-21-8-9-24(38(21)34-29)20-14-19-10-11-37(5)28(19)30-17-20/h7-11,14-18H,1,12-13H2,2-6H3,(H,32,39)(H,33,34)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/a25



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)


BindingDB Entry DOI: 10.7270/Q28W3GBG
More data for this
Ligand-Target Pair