BDBM4375 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid::(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9)::3,4-Dihydroxycinnamate, XVII::CHEMBL145::Caffeic acid::Caffeic acid, 1::cid_689043
SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
InChI Key InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 78 hits for monomerid = 4375
Affinity DataKi: 570nM ΔG°: -8.51kcal/molepH: 7.5 T: 25°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universit?? Degli Studi Di Firenze
Universit?? Degli Studi Di Firenze
Affinity DataKi: 590nM ΔG°: -8.49kcal/molepH: 7.5 T: 25°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
Affinity DataKi: 1.61E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 2.38E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universit?? Degli Studi Di Firenze
Universit?? Degli Studi Di Firenze
Affinity DataKi: 5.92E+3nM ΔG°: -7.13kcal/molepH: 7.5 T: 25°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
Affinity DataKi: 6.42E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 6.49E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 7.33E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 7.87E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.71E+3nMAssay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.71E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.06E+3nMAssay Description:Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.06E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.08E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.00E+4nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.01E+4nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.08E+4nMAssay Description:Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.09E+4nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.09E+4nMAssay Description:Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.80E+4nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
Affinity DataKi: 4.00E+5nM IC50: 1.20E+6nMAssay Description:The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...More data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 23°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+4nMpH: 8.0 T: 23°CAssay Description:A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...More data for this Ligand-Target Pair
Affinity DataIC50: 2.38E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
TargetLarge T antigen(SV40)
Southern Research Specialized Biocontainment Screening Center
Curated by PubChem BioAssay
Southern Research Specialized Biocontainment Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 7.30E+3nMAssay Description:A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...More data for this Ligand-Target Pair
Affinity DataIC50: 6.00E+5nMT: 25°CAssay Description:soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...More data for this Ligand-Target Pair
Affinity DataIC50: 6.00E+5nMT: 25°CAssay Description:In vitro study was evaluated as reported previously [Symeonidis et al., Bioorg. Med. Chem. Lett., 19:1139-1142]. The tested compounds dissolved in et...More data for this Ligand-Target Pair
Affinity DataIC50: 5.55E+6nMpH: 8.0Assay Description:AChE enzymatic activity was measured using an adaptation of the method previously described [Ingkaninan et al., J. Ethnopharmacol., 89:261-264]; 98 &...More data for this Ligand-Target Pair
Affinity DataIC50: 1.67E+4nMAssay Description:Inhibitory activity against 5-lipoxygenase in guinea pig leukocyteMore data for this Ligand-Target Pair
Affinity DataIC50: 4.30E+4nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...More data for this Ligand-Target Pair
Affinity DataEC50: 9.70E+4nMAssay Description:Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...More data for this Ligand-Target Pair
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...More data for this Ligand-Target Pair
Affinity DataIC50: 6.00E+5nMAssay Description:Inhibition of soybean lipoxygenaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human 5LOX expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of EGFR in human A431 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of human recombinant PTP1B after 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: >2.00E+6nMAssay Description:Inhibition of hyaluronidaseMore data for this Ligand-Target Pair
Affinity DataIC50: 6.00E+5nMAssay Description:Inhibition of soybean lipoxygenase at by UV spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: >3.50E+5nMAssay Description:Inhibition of mushroom tyrosinase after 25 mins by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of GST-tagged human VHR using pNpp as substrate after 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe...More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:In vitro inhibitory activity against 5-lipoxygenase obtained from potatoMore data for this Ligand-Target Pair
Affinity DataIC50: 8.75E+4nMAssay Description:Inhibition of rat intestine sucrase using sucrose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose ox...More data for this Ligand-Target Pair
Affinity DataIC50: 3.47E+4nMAssay Description:Inhibition of rat intestine maltase using maltose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose ox...More data for this Ligand-Target Pair
Affinity DataIC50: 21nMAssay Description:Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 minsMore data for this Ligand-Target Pair