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SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2ccccc12

InChI Key: InChIKey=FHJIFWIXZSYZDF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50237145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237145
PNG
(CHEMBL4074766)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2ccccc12
Show InChI InChI=1S/C22H28N6O2/c1-6-21(29)23-17-13-18(24-22-15-9-7-8-10-16(15)25-26-22)20(30-5)14-19(17)28(4)12-11-27(2)3/h6-10,13-14H,1,11-12H2,2-5H3,(H,23,29)(H2,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.27E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus expression...


J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
BindingDB Entry DOI: 10.7270/Q2FB556R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237145
PNG
(CHEMBL4074766)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2ccccc12
Show InChI InChI=1S/C22H28N6O2/c1-6-21(29)23-17-13-18(24-22-15-9-7-8-10-16(15)25-26-22)20(30-5)14-19(17)28(4)12-11-27(2)3/h6-10,13-14H,1,11-12H2,2-5H3,(H,23,29)(H2,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.04E+4n/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase I


J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
BindingDB Entry DOI: 10.7270/Q2FB556R
More data for this
Ligand-Target Pair