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BDBM377003 N-[2,2-Dimethyl-4-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-7-yl]-8-(2-methoxyphenyl)quinazolin-2-amine ::US10259816, Compound 24::US10611770, Compound 24

SMILES: COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CC(C)(C)Oc34)nc12

InChI Key: InChIKey=OFCHHTJHUMIZRM-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 = 377003   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377003
PNG
(N-[2,2-Dimethyl-4-(piperidin-4-yl)-2,3-dihydro-1-b...)
Show SMILES COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CC(C)(C)Oc34)nc12
Show InChI InChI=1S/C30H32N4O2/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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))
BDBM377003
PNG
(N-[2,2-Dimethyl-4-(piperidin-4-yl)-2,3-dihydro-1-b...)
Show SMILES COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CC(C)(C)Oc34)nc12
Show InChI InChI=1S/C30H32N4O2/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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