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BDBM300688 4-(methoxymethyl)-N-[5-(2- methylphenyl)-1,3,4-thiadiazol- 2-yl]-3-({[1-(4-methylpiperazin- 1-yl)cyclopropyl]carbonyl} amino)benzamide trifluoroacetate (1:1)::US10130633, Example 258

SMILES: COCc1ccc(cc1NC(=O)C1(CC1)N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccccc1C

InChI Key: InChIKey=BWPANBDMTCMGJL-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 = 300688   
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))
BDBM300688
PNG
(4-(methoxymethyl)-N-[5-(2- methylphenyl)-1,3,4-thi...)
Show SMILES COCc1ccc(cc1NC(=O)C1(CC1)N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccccc1C
Show InChI InChI=1S/C27H32N6O3S/c1-18-6-4-5-7-21(18)24-30-31-26(37-24)29-23(34)19-8-9-20(17-36-3)22(16-19)28-25(35)27(10-11-27)33-14-12-32(2)13-15-33/h4-9,16H,10-15,17H2,1-3H3,(H,28,35)(H,29,31,34)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40E+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))
BDBM300688
PNG
(4-(methoxymethyl)-N-[5-(2- methylphenyl)-1,3,4-thi...)
Show SMILES COCc1ccc(cc1NC(=O)C1(CC1)N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccccc1C
Show InChI InChI=1S/C27H32N6O3S/c1-18-6-4-5-7-21(18)24-30-31-26(37-24)29-23(34)19-8-9-20(17-36-3)22(16-19)28-25(35)27(10-11-27)33-14-12-32(2)13-15-33/h4-9,16H,10-15,17H2,1-3H3,(H,28,35)(H,29,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 45.5n/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