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SMILES: COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1

InChI Key: InChIKey=VCHHZXZFRONTDH-UHFFFAOYSA-N

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 3 hits for monomerid = 374968   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Wnt-3a


(Homo sapiens (Human))
BDBM374968
PNG
(US10251893, Cpd 166)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1
Show InChI InChI=1S/C25H28N6O3/c1-17-12-19(15-28-24(17)20-6-7-26-18(2)13-20)14-23(32)29-22-5-4-21(16-27-22)30-8-10-31(11-9-30)25(33)34-3/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,32)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Human embryonic kidney 293 cells (obtained from American Type Culture Collection, ATCC, Manassas, Va.) are cultured in DMEM medium (Gibco/Invitrogen,...


J Med Chem 50: 5727-34 (2007)


BindingDB Entry DOI: 10.7270/Q2GM89KJ
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM374968
PNG
(US10251893, Cpd 166)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1
Show InChI InChI=1S/C25H28N6O3/c1-17-12-19(15-28-24(17)20-6-7-26-18(2)13-20)14-23(32)29-22-5-4-21(16-27-22)30-8-10-31(11-9-30)25(33)34-3/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,32)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...


ACS Med Chem Lett 7: 676-80 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00038
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM374968
PNG
(US10251893, Cpd 166)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1
Show InChI InChI=1S/C25H28N6O3/c1-17-12-19(15-28-24(17)20-6-7-26-18(2)13-20)14-23(32)29-22-5-4-21(16-27-22)30-8-10-31(11-9-30)25(33)34-3/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...


ACS Med Chem Lett 7: 676-80 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00038
More data for this
Ligand-Target Pair