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BDBM270617 US10071086, Compound 229

SMILES: O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccccn3)c2c1)C1CCC1

InChI Key: InChIKey=XGMNRSZTPMDUNY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 270617   
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
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM270617
PNG
(US10071086, Compound 229)
Show SMILES O=C(Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3ccccn3)c2c1)C1CCC1
Show InChI InChI=1S/C27H21N9O/c37-27(15-4-3-5-15)32-18-8-16(10-28-12-18)17-9-19-24(35-36-25(19)31-11-17)26-33-22-14-29-13-20(23(22)34-26)21-6-1-2-7-30-21/h1-2,6-15H,3-5H2,(H,32,37)(H,33,34)(H,31,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 12n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a...


US Patent US10071086 (2018)


Article DOI: 10.1021/jm0493156
BindingDB Entry DOI: 10.7270/Q2SF2Z68
More data for this
Ligand-Target Pair