BindingDB logo
myBDB logout

BDBM380785 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-(methylsulfonyl)azetidin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)acryl amide ::US9890168, Compound 3

SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(OC2CN(C2)S(C)(=O)=O)c2ccn(CO)c2n1

InChI Key: InChIKey=LIKBOPHRCVGRML-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 = 380785   
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))
BDBM380785
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(OC2CN(C2)S(C)(=O)=O)c2ccn(CO)c2n1
Show InChI InChI=1S/C26H36N8O6S/c1-7-23(36)27-19-12-20(22(39-5)13-21(19)32(4)11-10-31(2)3)28-26-29-24-18(8-9-33(24)16-35)25(30-26)40-17-14-34(15-17)41(6,37)38/h7-9,12-13,17,35H,1,10-11,14-16H2,2-6H3,(H,27,36)(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 88n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...


J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM380785
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(OC2CN(C2)S(C)(=O)=O)c2ccn(CO)c2n1
Show InChI InChI=1S/C26H36N8O6S/c1-7-23(36)27-19-12-20(22(39-5)13-21(19)32(4)11-10-31(2)3)28-26-29-24-18(8-9-33(24)16-35)25(30-26)40-17-14-34(15-17)41(6,37)38/h7-9,12-13,17,35H,1,10-11,14-16H2,2-6H3,(H,27,36)(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...


J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair