BDBM50202711 (2S)-N-(4-(2-(4-isopropoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)pyrrolidine-2-carboxamide::CHEMBL397287

SMILES: CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)[C@@H]2CCCN2)cc1

InChI Key: InChIKey=QUPQIRUKWYPYRV-FUBQLUNQSA-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 = 50202711   

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))	BDBM50202711 ((2S)-N-(4-(2-(4-isopropoxyphenoxy)thiazol-5-yl)but...) Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)[C@@H]2CCCN2)cc1 |w:16.17| Show InChI InChI=1S/C21H25N3O3S/c1-14(2)26-16-7-9-17(10-8-16)27-21-23-13-18(28-21)11-6-15(3)24-20(25)19-5-4-12-22-19/h7-10,13-15,19,22H,4-5,12H2,1-3H3,(H,24,25)/t15?,19-/m0/s1	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))	BDBM50202711 ((2S)-N-(4-(2-(4-isopropoxyphenoxy)thiazol-5-yl)but...) Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)[C@@H]2CCCN2)cc1 |w:16.17| Show InChI InChI=1S/C21H25N3O3S/c1-14(2)26-16-7-9-17(10-8-16)27-21-23-13-18(28-21)11-6-15(3)24-20(25)19-5-4-12-22-19/h7-10,13-15,19,22H,4-5,12H2,1-3H3,(H,24,25)/t15?,19-/m0/s1	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	>3.00E+4	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