BDBM50052992 2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succinic acid::CHEMBL120621

SMILES: OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O

InChI Key: InChIKey=RLFDKELJHYUCTQ-UHFFFAOYSA-N

Data: 2 KI

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 = 50052992   

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
ATP-citrate synthase (Homo sapiens (Human))	BDBM50052992 (2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succini...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H24O5S/c18-15(19)12-17(22,16(20)21)13-23-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,22H,1-2,4,7-8,11-13H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50052992 (2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succini...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H24O5S/c18-15(19)12-17(22,16(20)21)13-23-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,22H,1-2,4,7-8,11-13H2,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair