BDBM50189622 CHEMBL208672::{1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-prop-2-ynyl}-urea

SMILES: CC(NC(N)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1

InChI Key: InChIKey=BBOJRUNYDZZGNH-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 = 50189622   

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))	BDBM50189622 (CHEMBL208672 | {1-methyl-3-[2-(4-phenoxy-phenoxy)-...) Show SMILES CC(NC(N)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 Show InChI InChI=1S/C20H17N3O3S/c1-14(23-19(21)24)7-12-18-13-22-20(27-18)26-17-10-8-16(9-11-17)25-15-5-3-2-4-6-15/h2-6,8-11,13-14H,1H3,(H3,21,23,24)	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 expressed in baculovirus/sf9 system				J Med Chem 49: 3770-3 (2006) Article DOI: 10.1021/jm060484v BindingDB Entry DOI: 10.7270/Q2M61M20
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50189622 (CHEMBL208672 | {1-methyl-3-[2-(4-phenoxy-phenoxy)-...) Show SMILES CC(NC(N)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 Show InChI InChI=1S/C20H17N3O3S/c1-14(23-19(21)24)7-12-18-13-22-20(27-18)26-17-10-8-16(9-11-17)25-15-5-3-2-4-6-15/h2-6,8-11,13-14H,1H3,(H3,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1 expressed in HEK293 cells				J Med Chem 49: 3770-3 (2006) Article DOI: 10.1021/jm060484v BindingDB Entry DOI: 10.7270/Q2M61M20
					More data for this Ligand-Target Pair