BDBM50247110 CHEMBL4083131

SMILES: CC(NC(C)=O)c1ccc2sc(cc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1

InChI Key: InChIKey=PMURXZSLUMPTOY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50247110   

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))	BDBM50247110 (CHEMBL4083131) Show SMILES CC(NC(C)=O)c1ccc2sc(cc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1 Show InChI InChI=1S/C28H27NO3S/c1-18(29-19(2)30)22-10-13-27-23(14-22)15-28(33-27)21-8-11-24(12-9-21)32-26-5-3-4-25(16-26)31-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50247110 (CHEMBL4083131) Show SMILES CC(NC(C)=O)c1ccc2sc(cc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1 Show InChI InChI=1S/C28H27NO3S/c1-18(29-19(2)30)22-10-13-27-23(14-22)15-28(33-27)21-8-11-24(12-9-21)32-26-5-3-4-25(16-26)31-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of ACC1 in human HCT116 cells assessed as reduction of [14C]acetate uptake preincubated for 60 mins followed by addition of [14C]acetate a...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase (Homo sapiens (Human))	BDBM50247110 (CHEMBL4083131) Show SMILES CC(NC(C)=O)c1ccc2sc(cc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1 Show InChI InChI=1S/C28H27NO3S/c1-18(29-19(2)30)22-10-13-27-23(14-22)15-28(33-27)21-8-11-24(12-9-21)32-26-5-3-4-25(16-26)31-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC2 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair