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2 similar compounds to monomer 50230558

Compile data set for download or QSAR
Wt: 459.5
BDBM50230557
Wt: 607.2
BDBM50230572

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230557,50230572   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50230557
PNG
(CHEBI:90187 | LY-117018)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells


J Med Chem 35: 931-8 (1992)


Article DOI: 10.1021/jm00083a019
BindingDB Entry DOI: 10.7270/Q2V98B9P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50230572
PNG
(CHEMBL4078431)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
Show InChI InChI=1/C22H27BrCl2N5O4P/c1-32-20-14-19-18(22(28-15-27-19)29-17-5-2-4-16(23)12-17)13-21(20)33-10-3-11-34-35(26,31)30(8-6-24)9-7-25/h2,4-5,12-15H,3,6-11H2,1H3,(H2,26,31)(H,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50230572
PNG
(CHEMBL4078431)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
Show InChI InChI=1/C22H27BrCl2N5O4P/c1-32-20-14-19-18(22(28-15-27-19)29-17-5-2-4-16(23)12-17)13-21(20)33-10-3-11-34-35(26,31)30(8-6-24)9-7-25/h2,4-5,12-15H,3,6-11H2,1H3,(H2,26,31)(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair