BDBM50438722 CHEMBL2414685

SMILES: CC1(C)CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1

InChI Key: InChIKey=BBTARKXAWLHLPD-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 = 50438722   

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))	BDBM50438722 (CHEMBL2414685) Show SMILES CC1(C)CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:11.11,wD:14.15,(25.71,-50.99,;24.21,-50.62,;24.18,-52.16,;24.9,-49.24,;24.24,-47.82,;25.24,-46.63,;26.75,-46.9,;27.73,-45.73,;27.2,-44.26,;25.71,-44.03,;24.73,-45.2,;28.2,-43.07,;27.67,-41.64,;28.65,-40.47,;30.15,-40.7,;31.14,-39.52,;32.66,-39.79,;33.66,-38.6,;33.19,-41.23,;30.68,-42.17,;29.7,-43.33,;22.76,-47.47,;22.45,-45.96,;21.54,-48.41,;20.22,-47.62,;20.25,-46.08,;18.87,-48.36,;18.83,-49.91,;20.16,-50.7,;21.52,-49.95,;22.7,-50.94,)| Show InChI InChI=1S/C23H28N4O4/c1-23(2)12-27(22(30)19-20(24)25-13-26-21(19)31-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(28)29/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,28,29)(H2,24,25,26)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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))	BDBM50438722 (CHEMBL2414685) Show SMILES CC1(C)CN(c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)C(=O)c2c(N)ncnc2O1 |r,wU:11.11,wD:14.15,(25.71,-50.99,;24.21,-50.62,;24.18,-52.16,;24.9,-49.24,;24.24,-47.82,;25.24,-46.63,;26.75,-46.9,;27.73,-45.73,;27.2,-44.26,;25.71,-44.03,;24.73,-45.2,;28.2,-43.07,;27.67,-41.64,;28.65,-40.47,;30.15,-40.7,;31.14,-39.52,;32.66,-39.79,;33.66,-38.6,;33.19,-41.23,;30.68,-42.17,;29.7,-43.33,;22.76,-47.47,;22.45,-45.96,;21.54,-48.41,;20.22,-47.62,;20.25,-46.08,;18.87,-48.36,;18.83,-49.91,;20.16,-50.7,;21.52,-49.95,;22.7,-50.94,)| Show InChI InChI=1S/C23H28N4O4/c1-23(2)12-27(22(30)19-20(24)25-13-26-21(19)31-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(28)29/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,28,29)(H2,24,25,26)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	146	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