BDBM50003860 CHEMBL3235317

SMILES: CC1(C)Oc2nc(nc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F

InChI Key: InChIKey=CJXRMQYFCOOJTA-JOCQHMNTSA-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 = 50003860   

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 (Homo sapiens (Human))	BDBM50003860 (CHEMBL3235317) Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F |r,wU:19.21,wD:22.25,c:12,(27.64,-8.52,;26.1,-8.52,;26.87,-9.85,;24.77,-9.3,;23.44,-8.53,;22.1,-9.31,;20.77,-8.54,;20.77,-6.99,;22.1,-6.22,;22.1,-4.68,;23.44,-6.99,;24.76,-6.21,;26.1,-6.97,;27.43,-6.19,;28.76,-6.96,;30.09,-6.19,;30.08,-4.64,;28.73,-3.88,;27.41,-4.66,;31.41,-3.86,;31.39,-2.32,;32.72,-1.55,;34.06,-2.31,;35.39,-1.54,;36.73,-2.3,;36.74,-3.84,;38.06,-1.53,;34.06,-3.85,;32.74,-4.63,;19.44,-9.31,;18.1,-8.53,;19.43,-10.85,;18.09,-10.06,)| Show InChI InChI=1S/C23H25F3N4O3/c1-22(2)18(28-17-19(27)29-21(23(24,25)26)30-20(17)33-22)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(31)32/h7-10,12-13H,3-6,11H2,1-2H3,(H,31,32)(H2,27,29,30)/t12-,13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of DGAT1 (unknown origin) by cell-based assay				J Med Chem 57: 3464-83 (2014) Article DOI: 10.1021/jm500135c BindingDB Entry DOI: 10.7270/Q23X886W
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50003860 (CHEMBL3235317) Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F |r,wU:19.21,wD:22.25,c:12,(27.64,-8.52,;26.1,-8.52,;26.87,-9.85,;24.77,-9.3,;23.44,-8.53,;22.1,-9.31,;20.77,-8.54,;20.77,-6.99,;22.1,-6.22,;22.1,-4.68,;23.44,-6.99,;24.76,-6.21,;26.1,-6.97,;27.43,-6.19,;28.76,-6.96,;30.09,-6.19,;30.08,-4.64,;28.73,-3.88,;27.41,-4.66,;31.41,-3.86,;31.39,-2.32,;32.72,-1.55,;34.06,-2.31,;35.39,-1.54,;36.73,-2.3,;36.74,-3.84,;38.06,-1.53,;34.06,-3.85,;32.74,-4.63,;19.44,-9.31,;18.1,-8.53,;19.43,-10.85,;18.09,-10.06,)| Show InChI InChI=1S/C23H25F3N4O3/c1-22(2)18(28-17-19(27)29-21(23(24,25)26)30-20(17)33-22)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(31)32/h7-10,12-13H,3-6,11H2,1-2H3,(H,31,32)(H2,27,29,30)/t12-,13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA				J Med Chem 57: 3464-83 (2014) Article DOI: 10.1021/jm500135c BindingDB Entry DOI: 10.7270/Q23X886W
					More data for this Ligand-Target Pair