BDBM50195042 CHEMBL220230::N-(4-(2-(3-isobutoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)acetamide

SMILES: CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1

InChI Key: InChIKey=YSJXZIBLMLGCFP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50195042   

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 2 (ACC2) (Homo sapiens (Human))	BDBM50195042 (CHEMBL220230 | N-(4-(2-(3-isobutoxyphenoxy)thiazol...) Show SMILES CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1 Show InChI InChI=1S/C19H22N2O3S/c1-13(2)12-23-16-6-5-7-17(10-16)24-19-20-11-18(25-19)9-8-14(3)21-15(4)22/h5-7,10-11,13-14H,12H2,1-4H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50195042 (CHEMBL220230 | N-(4-(2-(3-isobutoxyphenoxy)thiazol...) Show SMILES CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1 Show InChI InChI=1S/C19H22N2O3S/c1-13(2)12-23-16-6-5-7-17(10-16)24-19-20-11-18(25-19)9-8-14(3)21-15(4)22/h5-7,10-11,13-14H,12H2,1-4H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	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 17: 1961-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.022 BindingDB Entry DOI: 10.7270/Q2W095KS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50195042 (CHEMBL220230 | N-(4-(2-(3-isobutoxyphenoxy)thiazol...) Show SMILES CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1 Show InChI InChI=1S/C19H22N2O3S/c1-13(2)12-23-16-6-5-7-17(10-16)24-19-20-11-18(25-19)9-8-14(3)21-15(4)22/h5-7,10-11,13-14H,12H2,1-4H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	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))	BDBM50195042 (CHEMBL220230 | N-(4-(2-(3-isobutoxyphenoxy)thiazol...) Show SMILES CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1 Show InChI InChI=1S/C19H22N2O3S/c1-13(2)12-23-16-6-5-7-17(10-16)24-19-20-11-18(25-19)9-8-14(3)21-15(4)22/h5-7,10-11,13-14H,12H2,1-4H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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 17: 1961-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.022 BindingDB Entry DOI: 10.7270/Q2W095KS
					More data for this Ligand-Target Pair