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 c1cc(c(cc1\C=C\C(=O)O)O)O
InChI Key InChIKey=QAIPRVGONGVQAS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 81 hits for monomerid = 4375
Affinity DataIC50: 10nMAssay Description:Inhibition of MMP9 in human Hep3B cells using gelatin as substrateMore 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
Affinity DataIC50: 93nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition potencies against GCPII (IC50 values) were determined using previously described methods with minor modification. Rojas et al., 2002. Brie...More data for this Ligand-Target Pair
Affinity DataIC50: 125nMAssay Description:Displacement of [125-I]-[Sar1, AngII from AT1R (unknown origin) expressed in Escherichia coli BL 21 (DE3) incubated for 2 hrs by radioimmunoassayMore data for this Ligand-Target Pair
Affinity DataIC50: 239nMAssay Description:Inhibition of human recombinant MMP1 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: 300nMAssay Description:Inhibition potencies against GCPII (IC50 values) were determined using previously described methods with minor modification. Rojas et al., 2002. Brie...More data for this Ligand-Target Pair
Affinity DataKi: 570nM ΔG°: -8.51kcal/molepH: 7.5 T: 2°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: 2°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
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of HIV1 integrase in presence of Mn2+More data for this Ligand-Target Pair
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of HIV1 integrase by overall integration assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.88E+3nMAssay Description:Inhibition of KDM5B (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...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
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: 3.37E+3nMAssay Description:Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...More data for this Ligand-Target Pair
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of potato 5-LOX after 5 mins by enzyme immuno assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.86E+3nMAssay Description:Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate ...More 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: 2°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
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 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 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 DataKi: 8.71E+3nMAssay Description:Inhibition of human CA14 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: 9.06E+3nMAssay Description:Inhibition of human CA12 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: 9.08E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration 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 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 DataIC50: 1.56E+4nMAssay Description:Inhibition of amyloid beta (1 to 42) fibrillization (unknown origin) incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T...More data for this Ligand-Target Pair
Affinity DataIC50: 1.67E+4nMAssay Description:Inhibition of BACE1 (unknown origin)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 DataKi: 1.80E+4nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.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
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore 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: 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: 3.28E+4nMAssay Description:Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assayMore 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: 4.30E+4nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair

3D Structure (crystal)