BDBM50117184 CHEMBL3613347

SMILES: OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc4ccccc4c1)C(C3)C2

InChI Key: InChIKey=WJEXMOCWZSKYTJ-OTTGDMPZSA-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 = 50117184   

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))	BDBM50117184 (CHEMBL3613347) Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc4ccccc4c1)C(C3)C2 |r,wU:3.2,wD:9.10,TLB:8:3:6.7.9:36,10:9:4.37.3:36,THB:1:3:6.7.9:36,8:7:4.37.3:36,9:7:4:37.36.35,9:35:4:6.7.8,(3.58,2.29,;3.07,1.17,;3.79,.17,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.11,1.13,;-9.28,2.35,;-10.32,.17,;-11.75,.75,;-12.96,-.21,;-14.39,.37,;-15.6,-.59,;-15.43,-1.81,;-17.03,-.02,;-17.25,1.51,;-18.69,2.08,;-19.9,1.13,;-21.33,1.7,;-22.54,.75,;-22.32,-.77,;-20.89,-1.35,;-19.68,-.4,;-18.26,-.97,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C31H32N2O5/c34-28(32-11-12-33-29(35)23-6-5-20-3-1-2-4-22(20)15-23)21-7-9-26(10-8-21)38-27-24-13-19-14-25(27)18-31(16-19,17-24)30(36)37/h1-10,15,19,24-25,27H,11-14,16-18H2,(H,32,34)(H,33,35)(H,36,37)/t19?,24?,25?,27-,31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid sc...				Eur J Med Chem 101: 716-35 (2015) BindingDB Entry DOI: 10.7270/Q2B859WR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50117184 (CHEMBL3613347) Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc4ccccc4c1)C(C3)C2 |r,wU:3.2,wD:9.10,TLB:8:3:6.7.9:36,10:9:4.37.3:36,THB:1:3:6.7.9:36,8:7:4.37.3:36,9:7:4:37.36.35,9:35:4:6.7.8,(3.58,2.29,;3.07,1.17,;3.79,.17,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.11,1.13,;-9.28,2.35,;-10.32,.17,;-11.75,.75,;-12.96,-.21,;-14.39,.37,;-15.6,-.59,;-15.43,-1.81,;-17.03,-.02,;-17.25,1.51,;-18.69,2.08,;-19.9,1.13,;-21.33,1.7,;-22.54,.75,;-22.32,-.77,;-20.89,-1.35,;-19.68,-.4,;-18.26,-.97,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C31H32N2O5/c34-28(32-11-12-33-29(35)23-6-5-20-3-1-2-4-22(20)15-23)21-7-9-26(10-8-21)38-27-24-13-19-14-25(27)18-31(16-19,17-24)30(36)37/h1-10,15,19,24-25,27H,11-14,16-18H2,(H,32,34)(H,33,35)(H,36,37)/t19?,24?,25?,27-,31-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...				Eur J Med Chem 101: 716-35 (2015) BindingDB Entry DOI: 10.7270/Q2B859WR
					More data for this Ligand-Target Pair