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BDBM50133870 CHEBI:78030::CHEMBL3188386::US10251893, Compound 86

SMILES: Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C

InChI Key: InChIKey=XXYGTCZJJLTAGH-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50133870   
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-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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PubMed
n/an/a 0.400n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity ...


Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-cysteine N-palmitoyltransferase porcupine


(Mus musculus)
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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US Patent
n/an/a 0.380n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10251893 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89KJ
More data for this
Ligand-Target Pair
Probable protein-cysteine N-palmitoyltransferase porcupine


(Mus musculus)
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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n/an/a 0.400n/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
Probable protein-cysteine N-palmitoyltransferase porcupine


(Mus musculus)
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells assessed as suppression of Wnt signaling after 48 hrs by Super-top flash...


Eur J Med Chem 149: 110-121 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.034
BindingDB Entry DOI: 10.7270/Q2PR7ZMQ
More data for this
Ligand-Target Pair
Probable protein-cysteine N-palmitoyltransferase porcupine


(Mus musculus)
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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n/an/a 0.400n/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


(Homo sapiens (Human))
BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin)


J Med Chem 60: 6678-6692 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00662
BindingDB Entry DOI: 10.7270/Q2571FF5
More data for this
Ligand-Target Pair