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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 = 'BDBM170533'   
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))
BDBM170533
PNG
(US9085540, 73)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCN(C)CC2)c(nc1CC)C(N)=O |r|
Show InChI InChI=1S/C25H35N7O3/c1-4-20-25(35-19-10-11-32(16-19)21(33)5-2)29-24(22(28-20)23(26)34)27-17-6-8-18(9-7-17)31-14-12-30(3)13-15-31/h6-9,19H,4-5,10-16H2,1-3H3,(H2,26,34)(H,27,29)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170533
PNG
(US9085540, 73)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCN(C)CC2)c(nc1CC)C(N)=O |r|
Show InChI InChI=1S/C25H35N7O3/c1-4-20-25(35-19-10-11-32(16-19)21(33)5-2)29-24(22(28-20)23(26)34)27-17-6-8-18(9-7-17)31-14-12-30(3)13-15-31/h6-9,19H,4-5,10-16H2,1-3H3,(H2,26,34)(H,27,29)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.60n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair