Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.5 BDBM374948Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374948 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374948 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM374948 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/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