BDBM50388658 CHEMBL2059098

SMILES: CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O

InChI Key: InChIKey=OMRLEPYMEROINB-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 = 50388658   

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))	BDBM50388658 (CHEMBL2059098) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O Show InChI InChI=1S/C29H38N6O4S/c1-2-30-28(39)31-24-23(21-9-4-5-10-22(21)40-24)25(36)32-17-11-20(12-18-32)33-14-8-13-29(19-33)26(37)34-15-6-3-7-16-35(34)27(29)38/h4-5,9-10,20H,2-3,6-8,11-19H2,1H3,(H2,30,31,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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))	BDBM50388658 (CHEMBL2059098) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O Show InChI InChI=1S/C29H38N6O4S/c1-2-30-28(39)31-24-23(21-9-4-5-10-22(21)40-24)25(36)32-17-11-20(12-18-32)33-14-8-13-29(19-33)26(37)34-15-6-3-7-16-35(34)27(29)38/h4-5,9-10,20H,2-3,6-8,11-19H2,1H3,(H2,30,31,39)	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	7.5	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