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BDBM504412 US11040984, Compound 18

SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1C[C@H](CN(C)C)OC1=O

InChI Key: InChIKey=ILMKWFDHOGPKAB-LBPRGKRZSA-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 = 504412   
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))
BDBM504412
PNG
(US11040984, Compound 18)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1C[C@H](CN(C)C)OC1=O
Show InChI InChI=1S/C21H21ClFN5O3/c1-27(2)9-12-10-28(21(29)31-12)17-7-13-16(8-18(17)30-3)24-11-25-20(13)26-15-6-4-5-14(22)19(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26)/t12-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0500n/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))
BDBM504412
PNG
(US11040984, Compound 18)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1C[C@H](CN(C)C)OC1=O
Show InChI InChI=1S/C21H21ClFN5O3/c1-27(2)9-12-10-28(21(29)31-12)17-7-13-16(8-18(17)30-3)24-11-25-20(13)26-15-6-4-5-14(22)19(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26)/t12-/m0/s1
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