BDBM50073643 (1R,3R,4S)-3,5-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-4-hydroxy-1-methoxycarbonyloxy-cyclohexanecarboxylic acid::CHEMBL149893

SMILES: COC(=O)O[C@@]1(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O

InChI Key: InChIKey=VCDCQVDTYXJKOP-MVXSLYKFSA-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 = 50073643   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50073643 ((1R,3R,4S)-3,5-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-a...) Show SMILES COC(=O)O[C@@]1(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O Show InChI InChI=1S/C27H26O14/c1-38-26(37)41-27(25(35)36)12-20(39-22(32)8-4-14-2-6-16(28)18(30)10-14)24(34)21(13-27)40-23(33)9-5-15-3-7-17(29)19(31)11-15/h2-11,20-21,24,28-31,34H,12-13H2,1H3,(H,35,36)/b8-4+,9-5+/t20-,21?,24-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.				J Med Chem 42: 497-509 (1999) Article DOI: 10.1021/jm9804735 BindingDB Entry DOI: 10.7270/Q2G161J5
					More data for this Ligand-Target Pair