BDBM50088359 3,5-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,4-dihydroxy-cyclohexanecarboxylic acid::CHEMBL441250

SMILES: OC1C(CC(O)(CC1OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C/c1ccc(O)c(O)c1

InChI Key: InChIKey=KRZBCHWVBQOTNZ-VHOZIDCHSA-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 = 50088359   

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)	BDBM50088359 (3,5-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,4...) Show SMILES OC1C(CC(O)(CC1OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C/c1ccc(O)c(O)c1 |(5.46,-3.6,;5.46,-2.24,;6.59,-.7,;8.81,-.7,;9.95,-2.24,;9.95,-3.8,;8.81,-3.69,;6.59,-3.69,;6.59,-5.2,;7.98,-5.83,;9.35,-5.13,;7.98,-7.41,;9.28,-8.06,;10.55,-7.19,;10.55,-5.53,;11.74,-4.69,;13.18,-5.43,;14.54,-4.77,;13.18,-7.23,;14.57,-7.85,;11.91,-7.88,;9.95,-.68,;11.38,.16,;8.79,.5,;6.63,.6,;4.99,1.65,;3.59,.89,;4.99,3.31,;3.7,4.06,;2.43,3.26,;2.43,1.78,;1.1,1.09,;-.16,1.85,;-1.52,1.15,;-.16,3.31,;-1.48,4.11,;1.14,4.04,)| Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3-,8-4-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50088359 (3,5-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,4...) Show SMILES OC1C(CC(O)(CC1OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C/c1ccc(O)c(O)c1 |(5.46,-3.6,;5.46,-2.24,;6.59,-.7,;8.81,-.7,;9.95,-2.24,;9.95,-3.8,;8.81,-3.69,;6.59,-3.69,;6.59,-5.2,;7.98,-5.83,;9.35,-5.13,;7.98,-7.41,;9.28,-8.06,;10.55,-7.19,;10.55,-5.53,;11.74,-4.69,;13.18,-5.43,;14.54,-4.77,;13.18,-7.23,;14.57,-7.85,;11.91,-7.88,;9.95,-.68,;11.38,.16,;8.79,.5,;6.63,.6,;4.99,1.65,;3.59,.89,;4.99,3.31,;3.7,4.06,;2.43,3.26,;2.43,1.78,;1.1,1.09,;-.16,1.85,;-1.52,1.15,;-.16,3.31,;-1.48,4.11,;1.14,4.04,)| Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3-,8-4-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
					More data for this Ligand-Target Pair