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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM437960'   
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))
BDBM437960
PNG
(US10596172, Compound I-363 | US11351168, Compound ...)
Show SMILES Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C48H67FN10O10S/c1-2-41(60)54-35-9-5-10-36(31-35)55-46-38(49)32-53-47(59-46)56-34-15-17-37(18-16-34)69-30-29-67-24-21-52-44(63)14-6-13-43(62)51-20-8-23-66-26-28-68-27-25-65-22-7-19-50-42(61)12-4-3-11-40-45-39(33-70-40)57-48(64)58-45/h2,5,9-10,15-18,31-32,39-40,45H,1,3-4,6-8,11-14,19-30,33H2,(H,50,61)(H,51,62)(H,52,63)(H,54,60)(H2,57,58,64)(H2,53,55,56,59)/t39-,40-,45-/m0/s1
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))
BDBM437960
PNG
(US10596172, Compound I-363 | US11351168, Compound ...)
Show SMILES Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)nc1Nc1cccc(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C48H67FN10O10S/c1-2-41(60)54-35-9-5-10-36(31-35)55-46-38(49)32-53-47(59-46)56-34-15-17-37(18-16-34)69-30-29-67-24-21-52-44(63)14-6-13-43(62)51-20-8-23-66-26-28-68-27-25-65-22-7-19-50-42(61)12-4-3-11-40-45-39(33-70-40)57-48(64)58-45/h2,5,9-10,15-18,31-32,39-40,45H,1,3-4,6-8,11-14,19-30,33H2,(H,50,61)(H,51,62)(H,52,63)(H,54,60)(H2,57,58,64)(H2,53,55,56,59)/t39-,40-,45-/m0/s1
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