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BDBM377001 6-Fluoro-8-(2-methoxyphenyl)-N-[4-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-7-yl]quinazoline-2-amine ::US10259816, Compound 22::US10611770, Compound 22

SMILES: COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12

InChI Key: InChIKey=QCJIOPQYKRWUJO-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 377001   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377001
PNG
(6-Fluoro-8-(2-methoxyphenyl)-N-[4-(piperidin-4-yl)...)
Show SMILES COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C28H27FN4O2/c1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24/h2-7,14-17,30H,8-13H2,1H3,(H,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10611770 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377001
PNG
(6-Fluoro-8-(2-methoxyphenyl)-N-[4-(piperidin-4-yl)...)
Show SMILES COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C28H27FN4O2/c1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24/h2-7,14-17,30H,8-13H2,1H3,(H,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4T7X
More data for this
Ligand-Target Pair