BindingDB logo
myBDB logout

BDBM300532 N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-{[(4-methylpiperazin-1-yl)acetyl]amino}-4-(trifluoromethoxy)benzamide::US10130633, Example 102

SMILES: CN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2ccc(C)cc2)CC1

InChI Key: InChIKey=CHILFIOFPBIWTA-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 = 300532   
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))
BDBM300532
PNG
(N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-{[(...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H25F3N6O3S/c1-15-3-5-16(6-4-15)22-30-31-23(37-22)29-21(35)17-7-8-19(36-24(25,26)27)18(13-17)28-20(34)14-33-11-9-32(2)10-12-33/h3-8,13H,9-12,14H2,1-2H3,(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 1.95E+4n/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))
BDBM300532
PNG
(N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-{[(...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H25F3N6O3S/c1-15-3-5-16(6-4-15)22-30-31-23(37-22)29-21(35)17-7-8-19(36-24(25,26)27)18(13-17)28-20(34)14-33-11-9-32(2)10-12-33/h3-8,13H,9-12,14H2,1-2H3,(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 458n/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