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BDBM504414 US11040984, Compound 25

SMILES: CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

InChI Key: InChIKey=AUUWQQUVNXOOMD-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 = 504414   
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))
BDBM504414
PNG
(US11040984, Compound 25)
Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C22H21ClFN5O3/c1-3-28-9-22(10-28)11-29(21(30)32-22)17-7-13-16(8-18(17)31-2)25-12-26-20(13)27-15-6-4-5-14(23)19(15)24/h4-8,12H,3,9-11H2,1-2H3,(H,25,26,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0690n/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))
BDBM504414
PNG
(US11040984, Compound 25)
Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C22H21ClFN5O3/c1-3-28-9-22(10-28)11-29(21(30)32-22)17-7-13-16(8-18(17)31-2)25-12-26-20(13)27-15-6-4-5-14(23)19(15)24/h4-8,12H,3,9-11H2,1-2H3,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0220n/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