BDBM50195020 CHEMBL375116::N-(4-(2-(3-(cyclohexyloxy)phenoxy)thiazol-5-yl)but-3-yn-2-yl)acetamide

SMILES: CC(NC(C)=O)C#Cc1cnc(Oc2cccc(OC3CCCCC3)c2)s1

InChI Key: InChIKey=OAUPMSMXOKDJQY-UHFFFAOYSA-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 = 50195020   

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
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50195020 (CHEMBL375116 | N-(4-(2-(3-(cyclohexyloxy)phenoxy)t...) Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2cccc(OC3CCCCC3)c2)s1 Show InChI InChI=1S/C21H24N2O3S/c1-15(23-16(2)24)11-12-20-14-22-21(27-20)26-19-10-6-9-18(13-19)25-17-7-4-3-5-8-17/h6,9-10,13-15,17H,3-5,7-8H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1				Bioorg Med Chem Lett 16: 6078-81 (2006) Article DOI: 10.1016/j.bmcl.2006.08.100 BindingDB Entry DOI: 10.7270/Q2RJ4J4W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50195020 (CHEMBL375116 | N-(4-(2-(3-(cyclohexyloxy)phenoxy)t...) Show SMILES CC(NC(C)=O)C#Cc1cnc(Oc2cccc(OC3CCCCC3)c2)s1 Show InChI InChI=1S/C21H24N2O3S/c1-15(23-16(2)24)11-12-20-14-22-21(27-20)26-19-10-6-9-18(13-19)25-17-7-4-3-5-8-17/h6,9-10,13-15,17H,3-5,7-8H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2				Bioorg Med Chem Lett 16: 6078-81 (2006) Article DOI: 10.1016/j.bmcl.2006.08.100 BindingDB Entry DOI: 10.7270/Q2RJ4J4W
					More data for this Ligand-Target Pair