BDBM360598 US9828369, Example 155::methyl 3-(8-((3-(2,3- dichlorophenyl)ureido)methyl)isoquinolin- 5-yl)benzoate

SMILES: COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12

InChI Key: InChIKey=ABURUAFJRDJWAN-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 = 360598   

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
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM360598 (US9828369, Example 155 | methyl 3-(8-((3-(2,3- dic...) Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12 Show InChI InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharpe & Dohme Corp. US Patent					Assay Description DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...				US Patent US9828369 (2017) BindingDB Entry DOI: 10.7270/Q2DN47C7
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM360598 (US9828369, Example 155 | methyl 3-(8-((3-(2,3- dic...) Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12 Show InChI InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate				J Med Chem 58: 9345-53 (2015) Article DOI: 10.1021/acs.jmedchem.5b01345 BindingDB Entry DOI: 10.7270/Q28W3H9F
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM360598 (US9828369, Example 155 | methyl 3-(8-((3-(2,3- dic...) Show SMILES COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12 Show InChI InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of MGAT2 (unknown origin) by CPM assay				J Med Chem 58: 9345-53 (2015) Article DOI: 10.1021/acs.jmedchem.5b01345 BindingDB Entry DOI: 10.7270/Q28W3H9F
					More data for this Ligand-Target Pair