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BDBM300694 4-(cyclopropyloxy)-N-[5-(2- methylphenyl)-1,3,4-thiadiazol- 2-yl]-3-{[(4-methylpiperazin-1- yl)acetyl]amino}benzamide::US10130633, Example 264

SMILES: CN1CCN(CC(=O)Nc2cc(ccc2OC2CC2)C(=O)Nc2nnc(s2)-c2ccccc2C)CC1

InChI Key: InChIKey=OTVIQSCDOOZODQ-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 = 300694   
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))
BDBM300694
PNG
(4-(cyclopropyloxy)-N-[5-(2- methylphenyl)-1,3,4-th...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2OC2CC2)C(=O)Nc2nnc(s2)-c2ccccc2C)CC1
Show InChI InChI=1S/C26H30N6O3S/c1-17-5-3-4-6-20(17)25-29-30-26(36-25)28-24(34)18-7-10-22(35-19-8-9-19)21(15-18)27-23(33)16-32-13-11-31(2)12-14-32/h3-7,10,15,19H,8-9,11-14,16H2,1-2H3,(H,27,33)(H,28,30,34)
PDB

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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))
BDBM300694
PNG
(4-(cyclopropyloxy)-N-[5-(2- methylphenyl)-1,3,4-th...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2OC2CC2)C(=O)Nc2nnc(s2)-c2ccccc2C)CC1
Show InChI InChI=1S/C26H30N6O3S/c1-17-5-3-4-6-20(17)25-29-30-26(36-25)28-24(34)18-7-10-22(35-19-8-9-19)21(15-18)27-23(33)16-32-13-11-31(2)12-14-32/h3-7,10,15,19H,8-9,11-14,16H2,1-2H3,(H,27,33)(H,28,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 255n/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