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BDBM300525 3-({[1-(morpholin-4-yl)cyclopropyl]carbonyl}amino)-N-(5-phenylpyridin-2-yl)-4-(trifluoromethoxy)benzamide::US10130633, Example 95

SMILES: FC(F)(F)Oc1ccc(cc1NC(=O)C1(CC1)N1CCOCC1)C(=O)Nc1ccc(cn1)-c1ccccc1

InChI Key: InChIKey=MCDAQFFHHGMCAQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 300525   
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))
BDBM300525
PNG
(3-({[1-(morpholin-4-yl)cyclopropyl]carbonyl}amino)...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)C1(CC1)N1CCOCC1)C(=O)Nc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C27H25F3N4O4/c28-27(29,30)38-22-8-6-19(16-21(22)32-25(36)26(10-11-26)34-12-14-37-15-13-34)24(35)33-23-9-7-20(17-31-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,36)(H,31,33,35)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58.1n/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))
BDBM300525
PNG
(3-({[1-(morpholin-4-yl)cyclopropyl]carbonyl}amino)...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)C1(CC1)N1CCOCC1)C(=O)Nc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C27H25F3N4O4/c28-27(29,30)38-22-8-6-19(16-21(22)32-25(36)26(10-11-26)34-12-14-37-15-13-34)24(35)33-23-9-7-20(17-31-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,36)(H,31,33,35)
PDB

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UniProtKB/SwissProt

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



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
HEK293 cells were cotransfected with the FOP control vector and pcDNA3. The FOP vector is identical to the TOP construct, but it contains instead of ...


US Patent US10130633 (2018)


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


(Homo sapiens (Human))
BDBM300525
PNG
(3-({[1-(morpholin-4-yl)cyclopropyl]carbonyl}amino)...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)C1(CC1)N1CCOCC1)C(=O)Nc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C27H25F3N4O4/c28-27(29,30)38-22-8-6-19(16-21(22)32-25(36)26(10-11-26)34-12-14-37-15-13-34)24(35)33-23-9-7-20(17-31-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,36)(H,31,33,35)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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 beginning the test at 10000 cells per well in a 384 micro titre plate (MT...


US Patent US10130633 (2018)


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


(Homo sapiens (Human))
BDBM300525
PNG
(3-({[1-(morpholin-4-yl)cyclopropyl]carbonyl}amino)...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)C1(CC1)N1CCOCC1)C(=O)Nc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C27H25F3N4O4/c28-27(29,30)38-22-8-6-19(16-21(22)32-25(36)26(10-11-26)34-12-14-37-15-13-34)24(35)33-23-9-7-20(17-31-23)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,32,36)(H,31,33,35)
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