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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M,L858R]' and Ligand = 'BDBM149403'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM149403
PNG
(US10434101, Compound I-3 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C26H27ClN6O5/c1-3-23(35)29-17-5-4-6-19(13-17)38-25-20(27)15-28-26(31-25)30-21-8-7-18(14-22(21)37-2)32-9-11-33(12-10-32)24(36)16-34/h3-8,13-15,34H,1,9-12,16H2,2H3,(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RBQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM149403
PNG
(US10434101, Compound I-3 | US11096942, Compound I-...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C26H27ClN6O5/c1-3-23(35)29-17-5-4-6-19(13-17)38-25-20(27)15-28-26(31-25)30-21-8-7-18(14-22(21)37-2)32-9-11-33(12-10-32)24(36)16-34/h3-8,13-15,34H,1,9-12,16H2,2H3,(H,29,35)(H,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


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


US Patent US10434101 (2019)


BindingDB Entry DOI: 10.7270/Q2NK3HD3
More data for this
Ligand-Target Pair