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BDBM504408 US11040984, Compound 6

SMILES: COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O

InChI Key: InChIKey=PZYWOGPJGHUXFZ-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 504408   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504408
PNG
(US11040984, Compound 6)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-30-7-5-23(6-8-30)11-31(22(32)34-23)17-9-13-16(10-18(17)33-2)27-12-28-21(13)29-15-4-3-14(24)19(25)20(15)26/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504408
PNG
(US11040984, Compound 6)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-30-7-5-23(6-8-30)11-31(22(32)34-23)17-9-13-16(10-18(17)33-2)27-12-28-21(13)29-15-4-3-14(24)19(25)20(15)26/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<0.0150n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair