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BDBM300575 N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-{[(4-methylpiperazin-1-yl)acetyl]amino}-4-(trifluoromethoxy)benzamide::US10130633, Example 145

SMILES: CN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2cccc(C)c2)CC1

InChI Key: InChIKey=QGEXAONIEHTYHE-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 = 300575   
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
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300575
PNG
(N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-{[(...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2cccc(C)c2)CC1
Show InChI InChI=1S/C24H25F3N6O3S/c1-15-4-3-5-17(12-15)22-30-31-23(37-22)29-21(35)16-6-7-19(36-24(25,26)27)18(13-16)28-20(34)14-33-10-8-32(2)9-11-33/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,34)(H,29,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300575
PNG
(N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-{[(...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2cccc(C)c2)CC1
Show InChI InChI=1S/C24H25F3N6O3S/c1-15-4-3-5-17(12-15)22-30-31-23(37-22)29-21(35)16-6-7-19(36-24(25,26)27)18(13-16)28-20(34)14-33-10-8-32(2)9-11-33/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,34)(H,29,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 152n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair