BDBM50388660 CHEMBL2059096

SMILES: CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O

InChI Key: InChIKey=GHIUZGQVZZUQQY-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 = 50388660   

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))	BDBM50388660 (CHEMBL2059096) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C28H36N6O4S/c1-2-29-27(38)30-23-22(20-8-3-4-9-21(20)39-23)24(35)31-16-10-19(11-17-31)32-13-7-12-28(18-32)25(36)33-14-5-6-15-34(33)26(28)37/h3-4,8-9,19H,2,5-7,10-18H2,1H3,(H2,29,30,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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))	BDBM50388660 (CHEMBL2059096) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C28H36N6O4S/c1-2-29-27(38)30-23-22(20-8-3-4-9-21(20)39-23)24(35)31-16-10-19(11-17-31)32-13-7-12-28(18-32)25(36)33-14-5-6-15-34(33)26(28)37/h3-4,8-9,19H,2,5-7,10-18H2,1H3,(H2,29,30,38)	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	23	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