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BDBM504415 US11040984, Compound 30

SMILES: CCCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

InChI Key: InChIKey=RFKWVNQTNHCTAP-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 = 504415   
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))
BDBM504415
PNG
(US11040984, Compound 30)
Show SMILES CCCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C23H23ClFN5O3/c1-3-7-29-10-23(11-29)12-30(22(31)33-23)18-8-14-17(9-19(18)32-2)26-13-27-21(14)28-16-6-4-5-15(24)20(16)25/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,26,27,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0520n/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))
BDBM504415
PNG
(US11040984, Compound 30)
Show SMILES CCCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C23H23ClFN5O3/c1-3-7-29-10-23(11-29)12-30(22(31)33-23)18-8-14-17(9-19(18)32-2)26-13-27-21(14)28-16-6-4-5-15(24)20(16)25/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0210n/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