BDBM50190416 CHEMBL378896::N-(3-(diisopropylamino)-3-oxopropyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxamide

SMILES: CC(C)N(C(C)C)C(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=MCEPSUNNZLCDNS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50190416   

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
Malonyl-CoA decarboxylase (Homo sapiens (Human))	BDBM50190416 (CHEMBL378896 | N-(3-(diisopropylamino)-3-oxopropyl...) Show SMILES CC(C)N(C(C)C)C(=O)CCNC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:14| Show InChI InChI=1S/C16H23F6N3O4/c1-8(2)25(9(3)4)12(26)5-6-23-13(27)10-7-11(29-24-10)14(28,15(17,18)19)16(20,21)22/h8-9,11,28H,5-7H2,1-4H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma USA, LLC. Curated by ChEMBL					Assay Description Inhibition of malonyl-coenzyme A decarboxylase				J Med Chem 49: 4055-8 (2006) Article DOI: 10.1021/jm0605029 BindingDB Entry DOI: 10.7270/Q2Q81CQ7
					More data for this Ligand-Target Pair