BDBM50438724 CHEMBL2414696

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

InChI Key: InChIKey=SWPYNAWLPQZCEC-SHTZXODSSA-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 = 50438724   

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))	BDBM50438724 (CHEMBL2414696) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CCC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(10.74,-43.8,;10.71,-45.35,;9.35,-46.09,;9.32,-47.63,;10.64,-48.44,;12,-47.69,;13.18,-48.7,;14.7,-48.38,;15.4,-47,;14.74,-45.58,;15.76,-44.38,;17.26,-44.66,;18.25,-43.5,;17.73,-42.02,;16.23,-41.78,;15.24,-42.95,;18.74,-40.83,;18.22,-39.39,;19.21,-38.22,;20.71,-38.46,;21.72,-37.27,;23.23,-37.55,;24.23,-36.37,;25.75,-36.65,;23.71,-34.91,;21.23,-39.93,;20.24,-41.1,;13.26,-45.22,;12.96,-43.7,;12.03,-46.15,)| Show InChI InChI=1S/C22H26N4O4/c23-20-19-21(25-13-24-20)30-12-11-26(22(19)29)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-10-18(27)28/h6-9,13-15H,1-5,10-12H2,(H,27,28)(H2,23,24,25)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50438724 (CHEMBL2414696) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CCC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(10.74,-43.8,;10.71,-45.35,;9.35,-46.09,;9.32,-47.63,;10.64,-48.44,;12,-47.69,;13.18,-48.7,;14.7,-48.38,;15.4,-47,;14.74,-45.58,;15.76,-44.38,;17.26,-44.66,;18.25,-43.5,;17.73,-42.02,;16.23,-41.78,;15.24,-42.95,;18.74,-40.83,;18.22,-39.39,;19.21,-38.22,;20.71,-38.46,;21.72,-37.27,;23.23,-37.55,;24.23,-36.37,;25.75,-36.65,;23.71,-34.91,;21.23,-39.93,;20.24,-41.1,;13.26,-45.22,;12.96,-43.7,;12.03,-46.15,)| Show InChI InChI=1S/C22H26N4O4/c23-20-19-21(25-13-24-20)30-12-11-26(22(19)29)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-10-18(27)28/h6-9,13-15H,1-5,10-12H2,(H,27,28)(H2,23,24,25)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	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