BDBM50117667 CHEMBL3613711

SMILES: COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1

InChI Key: InChIKey=YWLMZNHPPMZFAA-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 = 50117667   

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
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50117667 (CHEMBL3613711) Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1 Show InChI InChI=1S/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...				J Med Chem 58: 7164-72 (2015) BindingDB Entry DOI: 10.7270/Q2F191HJ
					More data for this Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50117667 (CHEMBL3613711) Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1 Show InChI InChI=1S/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MGAT3 expressed in HEK293 cells assessed as effect on incorporation of [1,3-14C] glycerol into TAG by TLC method in presence of D...				J Med Chem 58: 7164-72 (2015) BindingDB Entry DOI: 10.7270/Q2F191HJ
					More data for this Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50117667 (CHEMBL3613711) Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1 Show InChI InChI=1S/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MGAT3 expressed in HEK293 cells assessed as effect on incorporation of [1,3-14C] glycerol into TAG by TLC method in presence of D...				J Med Chem 58: 7164-72 (2015) BindingDB Entry DOI: 10.7270/Q2F191HJ
					More data for this Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50117667 (CHEMBL3613711) Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1 Show InChI InChI=1S/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...				J Med Chem 58: 7164-72 (2015) BindingDB Entry DOI: 10.7270/Q2F191HJ
					More data for this Ligand-Target Pair