Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50455959' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50455959
(CHEMBL5281903)Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50455959
(CHEMBL5281903)Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50455959
(CHEMBL5281903)Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50455959
(CHEMBL5281903)Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)| Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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