BDBM50133864 CHEMBL2139947::US10251893, Compound 59

SMILES: Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1

InChI Key: InChIKey=KHZOJCQBHJUJFY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50133864   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50133864 (CHEMBL2139947 | US10251893, Compound 59) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21838C2
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50133864 (CHEMBL2139947 | US10251893, Compound 59) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of porcupine in HEK293T cells transfected with Wnt3A-expressing vector assessed as suppression of Wnt/beta-catenin signaling after 22 hrs ...				J Med Chem 61: 4087-4102 (2018) Article DOI: 10.1021/acs.jmedchem.8b00095 BindingDB Entry DOI: 10.7270/Q2GX4F5D
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM50133864 (CHEMBL2139947 | US10251893, Compound 59) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.110	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