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BDBM504416 US11040984, Compound 33

SMILES: CC(C)N1CC2(C1)CN(C(=O)O2)c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1

InChI Key: InChIKey=PTUDWZSHNAKRSN-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 = 504416   
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
Epidermal growth factor receptor [1-745,751-1210]


(Homo sapiens (Human))
BDBM504416
PNG
(US11040984, Compound 33)
Show SMILES CC(C)N1CC2(C1)CN(C(=O)O2)c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C22H21ClFN5O2/c1-13(2)28-9-22(10-28)11-29(21(30)31-22)14-6-7-17-15(8-14)20(26-12-25-17)27-18-5-3-4-16(23)19(18)24/h3-8,12-13H,9-11H2,1-2H3,(H,25,26,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.290n/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))
BDBM504416
PNG
(US11040984, Compound 33)
Show SMILES CC(C)N1CC2(C1)CN(C(=O)O2)c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C22H21ClFN5O2/c1-13(2)28-9-22(10-28)11-29(21(30)31-22)14-6-7-17-15(8-14)20(26-12-25-17)27-18-5-3-4-16(23)19(18)24/h3-8,12-13H,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 0.114n/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