BDBM50438705 CHEMBL2414698

SMILES: Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](Cc4nnn[nH]4)CC3)C(=O)c12

InChI Key: InChIKey=IBRWLUSJPIEFEC-HDJSIYSDSA-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 = 50438705   

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))	BDBM50438705 (CHEMBL2414698) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](Cc4nnn[nH]4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(23.78,-52.15,;23.8,-53.69,;22.46,-54.48,;22.48,-56.03,;23.83,-56.79,;25.16,-56,;26.38,-56.96,;27.89,-56.59,;28.55,-55.2,;27.85,-53.8,;28.81,-52.58,;28.25,-51.14,;29.2,-49.94,;30.71,-50.17,;31.28,-51.59,;30.33,-52.79,;31.69,-48.94,;31.11,-47.48,;32.06,-46.28,;33.57,-46.51,;34.55,-45.27,;36.06,-45.49,;37.13,-44.36,;38.53,-45.04,;38.31,-46.57,;36.79,-46.84,;34.13,-47.92,;33.18,-49.12,;26.35,-53.47,;25.99,-51.97,;25.15,-54.45,)| Show InChI InChI=1S/C21H24N8O2/c22-19-18-20(24-12-23-19)31-10-9-29(21(18)30)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17-25-27-28-26-17/h5-8,12-14H,1-4,9-11H2,(H2,22,23,24)(H,25,26,27,28)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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))	BDBM50438705 (CHEMBL2414698) Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](Cc4nnn[nH]4)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(23.78,-52.15,;23.8,-53.69,;22.46,-54.48,;22.48,-56.03,;23.83,-56.79,;25.16,-56,;26.38,-56.96,;27.89,-56.59,;28.55,-55.2,;27.85,-53.8,;28.81,-52.58,;28.25,-51.14,;29.2,-49.94,;30.71,-50.17,;31.28,-51.59,;30.33,-52.79,;31.69,-48.94,;31.11,-47.48,;32.06,-46.28,;33.57,-46.51,;34.55,-45.27,;36.06,-45.49,;37.13,-44.36,;38.53,-45.04,;38.31,-46.57,;36.79,-46.84,;34.13,-47.92,;33.18,-49.12,;26.35,-53.47,;25.99,-51.97,;25.15,-54.45,)| Show InChI InChI=1S/C21H24N8O2/c22-19-18-20(24-12-23-19)31-10-9-29(21(18)30)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17-25-27-28-26-17/h5-8,12-14H,1-4,9-11H2,(H2,22,23,24)(H,25,26,27,28)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	774	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