BDBM50388656 CHEMBL2059301

SMILES: COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12

InChI Key: InChIKey=INYAVZRXFNEAPV-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 = 50388656   

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))	BDBM50388656 (CHEMBL2059301) Show SMILES COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12 Show InChI InChI=1S/C27H34N6O5S/c1-38-19-7-4-6-18-20(22(29-26(28)37)39-21(18)19)23(34)30-14-8-17(9-15-30)31-11-5-10-27(16-31)24(35)32-12-2-3-13-33(32)25(27)36/h4,6-7,17H,2-3,5,8-16H2,1H3,(H3,28,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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))	BDBM50388656 (CHEMBL2059301) Show SMILES COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12 Show InChI InChI=1S/C27H34N6O5S/c1-38-19-7-4-6-18-20(22(29-26(28)37)39-21(18)19)23(34)30-14-8-17(9-15-30)31-11-5-10-27(16-31)24(35)32-12-2-3-13-33(32)25(27)36/h4,6-7,17H,2-3,5,8-16H2,1H3,(H3,28,29,37)	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	5.90	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