BDBM50189629 CHEMBL208555::N-(4-(2-(4-(isopropylamino)phenoxy)thiazol-5-yl)but-3-yn-2-yl)acetamide::N-{3-[2-(4-isopropylamino-phenoxy)-thiazol-5-yl]-1-methyl-prop-2-ynyl}-acetamide

SMILES: CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1

InChI Key: InChIKey=KJNSCOGWEATUMZ-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 = 50189629   

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))	BDBM50189629 (CHEMBL208555 | N-(4-(2-(4-(isopropylamino)phenoxy)...) Show SMILES CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)	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	150	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))	BDBM50189629 (CHEMBL208555 | N-(4-(2-(4-(isopropylamino)phenoxy)...) Show SMILES CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)	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
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50189629 (CHEMBL208555 | N-(4-(2-(4-(isopropylamino)phenoxy)...) Show SMILES CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)	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	150	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))	BDBM50189629 (CHEMBL208555 | N-(4-(2-(4-(isopropylamino)phenoxy)...) Show SMILES CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)	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				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