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SMILES: Cc1ccc(s1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCCC2)c1

InChI Key: InChIKey=GZYNXIHQZLVCNK-UHFFFAOYSA-N

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 = 346343   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM346343
PNG
(US10202377, Compound 379)
Show SMILES Cc1ccc(s1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C29H27N7S/c1-18-8-9-26(37-18)21-6-5-7-23-27(21)33-29(32-23)28-22-13-24(31-16-25(22)34-35-28)20-12-19(14-30-15-20)17-36-10-3-2-4-11-36/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,32,33)(H,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM346343
PNG
(US10202377, Compound 379)
Show SMILES Cc1ccc(s1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCCC2)c1
Show InChI InChI=1S/C29H27N7S/c1-18-8-9-26(37-18)21-6-5-7-23-27(21)33-29(32-23)28-22-13-24(31-16-25(22)34-35-28)20-12-19(14-30-15-20)17-36-10-3-2-4-11-36/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,32,33)(H,34,35)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 359n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., col...


US Patent US10202377 (2019)


BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair