BDBM50355927 CHEMBL1910397

SMILES: CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1

InChI Key: InChIKey=KGLWLAUTFWCKHY-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 = 50355927   

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))	BDBM50355927 (CHEMBL1910397) Show SMILES CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H33N3O4S/c1-17(30)27-22-21(19-7-4-5-8-20(19)34-22)23(31)28-13-9-18(10-14-28)29-12-6-11-26(16-29)15-25(2,3)33-24(26)32/h4-5,7-8,18H,6,9-16H2,1-3H3,(H,27,30)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2				Bioorg Med Chem Lett 21: 6314-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50355927 (CHEMBL1910397) Show SMILES CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H33N3O4S/c1-17(30)27-22-21(19-7-4-5-8-20(19)34-22)23(31)28-13-9-18(10-14-28)29-12-6-11-26(16-29)15-25(2,3)33-24(26)32/h4-5,7-8,18H,6,9-16H2,1-3H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1				Bioorg Med Chem Lett 21: 6314-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P
					More data for this Ligand-Target Pair