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BDBM269257 US10071086, Compound 5

SMILES: Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1

InChI Key: InChIKey=FMCFVSLQTLXKIO-XTQSDGFTSA-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 = 269257   
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
Beta-catenin-interacting protein 1


()
BDBM269257
PNG
(US10071086, Compound 5)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H13FN8/c24-15-3-1-2-12(4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13/h1-11H,25H2/b23-21+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 175n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compounds of Formulas (I) or (II) were screened in a β-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20...


US Patent US10071086 (2018)

More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (human))
BDBM269257
PNG
(US10071086, Compound 5)
Show SMILES Nc1cncc(c1)-c1cnc2[nH]nc(-c3nc4c(cncc4[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H13FN8/c24-15-3-1-2-12(4-15)18-10-27-11-19-20(18)30-23(29-19)21-17-6-14(8-28-22(17)32-31-21)13-5-16(25)9-26-7-13/h1-11H,25H2/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/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)

More data for this
Ligand-Target Pair