BDBM50386149 CHEMBL2042351

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O

InChI Key: InChIKey=IXSYNFAIGCTLCG-QFIPXVFZSA-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 = 50386149   

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
Chondroitin sulfate N-acetylgalactosaminyltransferase 1 (Homo sapiens (Human))	BDBM50386149 (CHEMBL2042351) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H22FN3O3S/c1-14(2)22(24(31)32)29-23(30)17-5-3-15(4-6-17)16-7-10-19(11-8-16)27-25-28-20-12-9-18(26)13-21(20)33-25/h3-14,22H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting				Eur J Med Chem 54: 324-42 (2012) Article DOI: 10.1016/j.ejmech.2012.05.016 BindingDB Entry DOI: 10.7270/Q25B03HK
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50386149 (CHEMBL2042351) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H22FN3O3S/c1-14(2)22(24(31)32)29-23(30)17-5-3-15(4-6-17)16-7-10-19(11-8-16)27-25-28-20-12-9-18(26)13-21(20)33-25/h3-14,22H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair