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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM397142'   
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


(Homo sapiens (Human))
BDBM397142
PNG
(US10596172, Compound I-1 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2ccnc(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C20H19N5O/c1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15/h3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q2NV9MM2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397142
PNG
(US10596172, Compound I-1 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2ccnc(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C20H19N5O/c1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15/h3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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 US10596172 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4G9X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397142
PNG
(US10596172, Compound I-1 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2ccnc(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C20H19N5O/c1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15/h3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Briefly, 10x 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/Q2X92FHZ
More data for this
Ligand-Target Pair