BDBM50438717 CHEMBL2414657

SMILES: Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC(O)C4)CC3)C(=O)c12

InChI Key: InChIKey=VEDITWUKRVWHQW-WKILWMFISA-N

Data: 2 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 2 hits for monomerid = 50438717   

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 1 (DGAT1) (Homo sapiens (Human))	BDBM50438717 (CHEMBL2414657) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC(O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(24.81,-51.13,;24.79,-52.69,;23.43,-53.45,;23.41,-55.01,;24.75,-55.8,;26.11,-55.03,;27.3,-56.03,;28.82,-55.7,;29.52,-54.31,;28.86,-52.9,;29.86,-51.7,;29.31,-50.24,;30.3,-49.05,;31.81,-49.32,;32.35,-50.76,;31.37,-51.93,;32.82,-48.1,;32.28,-46.63,;33.26,-45.45,;34.77,-45.71,;35.78,-44.5,;37.29,-44.76,;37.82,-46.2,;38.3,-43.55,;38.16,-41.99,;39.67,-41.85,;40.67,-40.64,;39.81,-43.38,;35.3,-47.15,;34.32,-48.33,;27.36,-52.53,;27.03,-51.01,;26.12,-53.48,)| Show InChI InChI=1S/C24H29N5O4/c25-22-21-23(27-14-26-22)33-10-9-29(24(21)32)18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-20(31)28-12-19(30)13-28/h5-8,14-16,19,30H,1-4,9-13H2,(H2,25,26,27)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi...				Bioorg Med Chem 21: 5081-97 (2013) Article DOI: 10.1016/j.bmc.2013.06.045 BindingDB Entry DOI: 10.7270/Q26111RG
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50438717 (CHEMBL2414657) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)N4CC(O)C4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(24.81,-51.13,;24.79,-52.69,;23.43,-53.45,;23.41,-55.01,;24.75,-55.8,;26.11,-55.03,;27.3,-56.03,;28.82,-55.7,;29.52,-54.31,;28.86,-52.9,;29.86,-51.7,;29.31,-50.24,;30.3,-49.05,;31.81,-49.32,;32.35,-50.76,;31.37,-51.93,;32.82,-48.1,;32.28,-46.63,;33.26,-45.45,;34.77,-45.71,;35.78,-44.5,;37.29,-44.76,;37.82,-46.2,;38.3,-43.55,;38.16,-41.99,;39.67,-41.85,;40.67,-40.64,;39.81,-43.38,;35.3,-47.15,;34.32,-48.33,;27.36,-52.53,;27.03,-51.01,;26.12,-53.48,)| Show InChI InChI=1S/C24H29N5O4/c25-22-21-23(27-14-26-22)33-10-9-29(24(21)32)18-7-5-17(6-8-18)16-3-1-15(2-4-16)11-20(31)28-12-19(30)13-28/h5-8,14-16,19,30H,1-4,9-13H2,(H2,25,26,27)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry				Bioorg Med Chem 21: 5081-97 (2013) Article DOI: 10.1016/j.bmc.2013.06.045 BindingDB Entry DOI: 10.7270/Q26111RG
					More data for this Ligand-Target Pair