BDBM50438709 CHEMBL2413095

SMILES: Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12

InChI Key: InChIKey=QIAZOUYGUWMASC-PUZFROQSSA-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 = 50438709   

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))	BDBM50438709 (CHEMBL2413095) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12 |r,wD:27.29,24.25,(28.24,-51.09,;28.26,-52.64,;26.93,-53.42,;26.95,-54.96,;28.29,-55.72,;29.63,-54.93,;30.83,-55.89,;32.34,-55.52,;33,-54.13,;32.31,-52.74,;33.27,-51.52,;32.69,-50.09,;33.64,-48.89,;35.15,-49.11,;35.72,-50.53,;34.77,-51.73,;36.13,-47.88,;37.64,-48.1,;38.61,-46.88,;38.03,-45.42,;36.49,-45.24,;35.55,-46.43,;38.97,-44.23,;40.49,-44.45,;38.4,-42.78,;36.85,-42.54,;36.29,-41.13,;37.24,-39.93,;36.66,-38.49,;38.74,-40.15,;39.31,-41.57,;30.81,-52.41,;30.44,-50.91,;29.61,-53.39,)| Show InChI InChI=1S/C25H31N5O4/c26-22-21-23(28-15-27-22)34-14-13-30(25(21)33)19-5-1-16(2-6-19)17-9-11-29(12-10-17)24(32)18-3-7-20(31)8-4-18/h1-2,5-6,15,17-18,20,31H,3-4,7-14H2,(H2,26,27,28)/t18-,20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	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))	BDBM50438709 (CHEMBL2413095) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12 |r,wD:27.29,24.25,(28.24,-51.09,;28.26,-52.64,;26.93,-53.42,;26.95,-54.96,;28.29,-55.72,;29.63,-54.93,;30.83,-55.89,;32.34,-55.52,;33,-54.13,;32.31,-52.74,;33.27,-51.52,;32.69,-50.09,;33.64,-48.89,;35.15,-49.11,;35.72,-50.53,;34.77,-51.73,;36.13,-47.88,;37.64,-48.1,;38.61,-46.88,;38.03,-45.42,;36.49,-45.24,;35.55,-46.43,;38.97,-44.23,;40.49,-44.45,;38.4,-42.78,;36.85,-42.54,;36.29,-41.13,;37.24,-39.93,;36.66,-38.49,;38.74,-40.15,;39.31,-41.57,;30.81,-52.41,;30.44,-50.91,;29.61,-53.39,)| Show InChI InChI=1S/C25H31N5O4/c26-22-21-23(28-15-27-22)34-14-13-30(25(21)33)19-5-1-16(2-6-19)17-9-11-29(12-10-17)24(32)18-3-7-20(31)8-4-18/h1-2,5-6,15,17-18,20,31H,3-4,7-14H2,(H2,26,27,28)/t18-,20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	574	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