BindingDB logo
myBDB logout

PubMed code 33992931

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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))		BDBM50458062
PNG
(CHEMBL4209019)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4)nc3cn2)N2CCC(CO)CC2)nc1
Show InChI InChI=1S/C31H38FN9O/c1-39(2)24-11-15-40(16-12-24)25-7-8-28(33-18-25)37-29-17-26-27(19-34-29)36-31(35-23-5-3-22(32)4-6-23)38-30(26)41-13-9-21(20-42)10-14-41/h3-8,17-19,21,24,42H,9-16,20H2,1-2H3,(H,33,34,37)(H,35,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587892
PNG
(CHEMBL5207949)
Show SMILES Clc1ccc(Nc2ncnc3[nH]ccc23)cc1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587891
PNG
(CHEMBL5181237 | US11814388, Compound 4)
Show SMILES Brc1cccc(Nc2ncnc3[nH]ccc23)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50458062
PNG
(CHEMBL4209019)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccc(F)cc4)nc3cn2)N2CCC(CO)CC2)nc1
Show InChI InChI=1S/C31H38FN9O/c1-39(2)24-11-15-40(16-12-24)25-7-8-28(33-18-25)37-29-17-26-27(19-34-29)36-31(35-23-5-3-22(32)4-6-23)38-30(26)41-13-9-21(20-42)10-14-41/h3-8,17-19,21,24,42H,9-16,20H2,1-2H3,(H,33,34,37)(H,35,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587890
PNG
(CHEMBL5187169)
Show SMILES Clc1cnc(Nc2ccc(SCC(=O)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50561282
PNG
(CHEMBL4780534)
Show SMILES COc1ccc(Nc2nc3CCSCc3c(Oc3cccc(NC(=O)C=C)c3)n2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587889
PNG
(CHEMBL5196024)
Show SMILES Clc1cnc(Nc2ccc(SCCCN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587896
PNG
(CHEMBL5196209)
Show SMILES Cc1n[nH]c2Oc3ncn(N)c(=N)c3C(c12)c1ccccc1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587893
PNG
(CHEMBL5203640)
Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)C1CCCN(C1)C(=O)C=C
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587895
PNG
(CHEMBL5198368)
Show SMILES CC1=NNC2=NC(=O)NC(C12)c1ccccc1Br |t:1,4|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
MMDB
PDB
Article
PubMed
n/an/a<150n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587886
PNG
(CHEMBL5201387)
Show SMILES Cn1cc(-c2ccnc(Nc3ccc(NC(=O)C=C)cc3)n2)c2ccccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587894
PNG
(CHEMBL5187375)
Show SMILES Cc1nn(-c2ccc(F)cc2)c2c(Nc3ccc(F)c(Cl)c3)ncnc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587897
PNG
(CHEMBL5206805)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc5CCCCc5c34)cc2Cl)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587887
PNG
(CHEMBL5175924)
Show SMILES CC#CC(=O)Nc1ccc(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50587894
PNG
(CHEMBL5187375)
Show SMILES Cc1nn(-c2ccc(F)cc2)c2c(Nc3ccc(F)c(Cl)c3)ncnc12
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587888
PNG
(CHEMBL5208349)
Show SMILES CCC\C=C\C(=O)Nc1cc(Nc2ncc(-c3cc4ccccc4n3C)c(C)n2)c(OC)cc1N(C)CCN(C)C
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50587888
PNG
(CHEMBL5208349)
Show SMILES CCC\C=C\C(=O)Nc1cc(Nc2ncc(-c3cc4ccccc4n3C)c(C)n2)c(OC)cc1N(C)CCN(C)C
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113523
BindingDB Entry DOI: 10.7270/Q2RJ4PFK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%