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BDBM50377283 CHEMBL255656

SMILES: CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(Cl)c3)ncc2c1

InChI Key: InChIKey=HVLLPZIYFHPUMI-NSKAYECMSA-N

Data: 2 IC50

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 = 50377283   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50377283
PNG
(CHEMBL255656)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(Cl)c3)ncc2c1
Show InChI InChI=1S/C20H18ClN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50377283
PNG
(CHEMBL255656)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(Cl)c3)ncc2c1
Show InChI InChI=1S/C20H18ClN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 3495-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.024
BindingDB Entry DOI: 10.7270/Q21G0N5V
More data for this
Ligand-Target Pair