BDBM50003856 CHEMBL3235313

SMILES: CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O

InChI Key: InChIKey=XTESIHAFIYITSW-CTYIDZIISA-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 = 50003856   

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))	BDBM50003856 (CHEMBL3235313) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:19.21,wD:22.28,c:12,(6.26,-59.02,;4.72,-59.02,;5.49,-60.36,;3.39,-59.8,;2.06,-59.04,;.72,-59.82,;-.62,-59.04,;-.62,-57.5,;.72,-56.73,;.71,-55.19,;2.05,-57.49,;3.38,-56.72,;4.72,-57.48,;6.05,-56.7,;7.38,-57.47,;8.71,-56.69,;8.7,-55.15,;7.35,-54.39,;6.03,-55.17,;10.03,-54.37,;10,-52.83,;11.34,-52.06,;12.68,-52.82,;12.68,-54.36,;11.36,-55.13,;14.01,-52.05,;15.35,-52.81,;14.01,-50.51,)| Show InChI InChI=1S/C21H24N4O3/c1-21(2)17(25-16-18(22)23-11-24-19(16)28-21)14-7-3-12(4-8-14)13-5-9-15(10-6-13)20(26)27/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3,(H,26,27)(H2,22,23,24)/t13-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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 (DGAT1) (Homo sapiens (Human))	BDBM50003856 (CHEMBL3235313) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:19.21,wD:22.28,c:12,(6.26,-59.02,;4.72,-59.02,;5.49,-60.36,;3.39,-59.8,;2.06,-59.04,;.72,-59.82,;-.62,-59.04,;-.62,-57.5,;.72,-56.73,;.71,-55.19,;2.05,-57.49,;3.38,-56.72,;4.72,-57.48,;6.05,-56.7,;7.38,-57.47,;8.71,-56.69,;8.7,-55.15,;7.35,-54.39,;6.03,-55.17,;10.03,-54.37,;10,-52.83,;11.34,-52.06,;12.68,-52.82,;12.68,-54.36,;11.36,-55.13,;14.01,-52.05,;15.35,-52.81,;14.01,-50.51,)| Show InChI InChI=1S/C21H24N4O3/c1-21(2)17(25-16-18(22)23-11-24-19(16)28-21)14-7-3-12(4-8-14)13-5-9-15(10-6-13)20(26)27/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3,(H,26,27)(H2,22,23,24)/t13-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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