BDBM50359039 CHEMBL1922173

SMILES: COC(=O)C(C)CC(=O)C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O

InChI Key: InChIKey=VLILOXNRSPUUFE-NLSYDQJOSA-N

Data: 1 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 1 hit for monomerid = 50359039   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50359039 (CHEMBL1922173) Show SMILES COC(=O)C(C)CC(=O)C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,w:9.8,c:18| Show InChI InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h11,17,19-20,22,24,33,36H,9-10,12-15H2,1-8H3/t17?,19-,20+,22+,24+,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sepuluh Nopember Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 7295-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.035 BindingDB Entry DOI: 10.7270/Q2FT8MF7
					More data for this Ligand-Target Pair