BDBM50202695 3-methyl-N-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)isoxazol-5-amine::CHEMBL397400

SMILES: CC(Nc1cc(C)no1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1

InChI Key: InChIKey=YHRIVWOCSAKSAQ-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 = 50202695   

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))	BDBM50202695 (3-methyl-N-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)bu...) Show SMILES CC(Nc1cc(C)no1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0| Show InChI InChI=1S/C23H19N3O3S/c1-16(25-22-14-17(2)26-29-22)8-13-21-15-24-23(30-21)28-20-11-9-19(10-12-20)27-18-6-4-3-5-7-18/h3-7,9-12,14-16,25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ACC1				Bioorg Med Chem Lett 17: 1803-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.047 BindingDB Entry DOI: 10.7270/Q28C9VXR
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50202695 (3-methyl-N-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)bu...) Show SMILES CC(Nc1cc(C)no1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0| Show InChI InChI=1S/C23H19N3O3S/c1-16(25-22-14-17(2)26-29-22)8-13-21-15-24-23(30-21)28-20-11-9-19(10-12-20)27-18-6-4-3-5-7-18/h3-7,9-12,14-16,25H,1-2H3	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ACC2				Bioorg Med Chem Lett 17: 1803-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.047 BindingDB Entry DOI: 10.7270/Q28C9VXR
					More data for this Ligand-Target Pair