BDBM50388662 CHEMBL2059094

SMILES: CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCN1C2=O

InChI Key: InChIKey=ZLLJJIVOFQWDEI-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 = 50388662   

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))	BDBM50388662 (CHEMBL2059094) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCN1C2=O Show InChI InChI=1S/C27H34N6O4S/c1-2-28-26(37)29-22-21(19-7-3-4-8-20(19)38-22)23(34)30-15-9-18(10-16-30)31-12-5-11-27(17-31)24(35)32-13-6-14-33(32)25(27)36/h3-4,7-8,18H,2,5-6,9-17H2,1H3,(H2,28,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50388662 (CHEMBL2059094) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCN1C2=O Show InChI InChI=1S/C27H34N6O4S/c1-2-28-26(37)29-22-21(19-7-3-4-8-20(19)38-22)23(34)30-15-9-18(10-16-30)31-12-5-11-27(17-31)24(35)32-13-6-14-33(32)25(27)36/h3-4,7-8,18H,2,5-6,9-17H2,1H3,(H2,28,29,37)	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	33	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 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair