AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: cefotaxime
Target: Beta-lactamase (Enzyme)
Gene: ampC
UniProt: D6NSM8 (D6NSM8_ACIBA)
Organism: Acinetobacter baumannii
Activity: Ki = 5.6
Assay: Activity of Acinetobacter baumannii ADC-11 beta-lactamase
Drug: cefotaxime
Target: Penicillin-binding protein 2 (Enzyme)
Gene: mrdA
UniProt: P0AD65 (PBP2_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 4.617
Action type: INHIBITOR
Drug: cefotetan
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.05
Drug: cefotetan
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefotetan
Target: 72 kDa type IV collagenase (Enzyme)
Gene: MMP2
UniProt: P08253 (MMP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.49
Drug: cefotetan
Target: Catechol O-methyltransferase (Enzyme)
Gene: COMT
UniProt: P21964 (COMT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Drug: cefotetan
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.72
Drug: cefotetan
Target: Interstitial collagenase (Enzyme)
Gene: MMP1
UniProt: P03956 (MMP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.89
Drug: cefotetan
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: cefotiam
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefotiam
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.46
Drug: cefotiam
Target: Vasoactive intestinal polypeptide receptor 1 (GPCR)
Gene: VIPR1
UniProt: P32241 (VIPR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.47
Drug: cefotiam
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: cefoxitin
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefoxitin
Target: Beta-lactamase (Enzyme)
Gene: penP
UniProt: P00808 (BLAC_BACLI)
Organism: Bacillus licheniformis
Drug: cefoxitin
Target: Beta-lactamase (Enzyme)
Gene: blaPER-2
UniProt: A2RP81 (A2RP81_CITFR)
Organism: Citrobacter freundii
Activity: Ki = 6.85
Assay: Inhibition of Citrobacter freundii PER2 beta lactamase
Drug: cefoxitin
Target: Beta-lactamase (Enzyme)
UniProt: B2ZTR6 (B2ZTR6_ACIBA)
Organism: Acinetobacter baumannii
Activity: Ki = 7
Assay: Activity of Acinetobacter baumannii ADC-33 beta-lactamase
Drug: cefoxitin
Target: Beta-lactamase (Enzyme)
Gene: ampC
UniProt: D6NSM8 (D6NSM8_ACIBA)
Organism: Acinetobacter baumannii
Activity: Ki = 6.3
Assay: Activity of Acinetobacter baumannii ADC-11 beta-lactamase
Drug: cefoxitin
Target: Streptokinase A (Enzyme)
Gene: ska
UniProt: P10520 (STRP_STRP1)
Organism: Streptococcus pyogenes serotype M1
Activity: EC50 = 5.48
Drug: cefoxitin
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: cefpiramide
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: cefprozil
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefsulodin
Target: Beta-adrenergic receptor kinase 1 (Kinase)
Gene: GRK2
UniProt: P25098 (ARBK1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.15
Assay: PUBCHEM_BIOASSAY: Dose Response of inhibitors of GRK2 binding with RNA aptamer, Cherry Pick 1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488855]
Drug: cefsulodin
Target: Penicillin-binding protein 1A (Enzyme)
Gene: mrcA
UniProt: P02918 (PBPA_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.522
Drug: cefsulodin
Target: Penicillin-binding protein 1B (Enzyme)
Gene: mrcB
UniProt: P02919 (PBPB_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5.328
Drug: cefsulodin
Target: Tyrosine-protein phosphatase non-receptor type 11 (Enzyme)
Gene: PTPN11
UniProt: Q06124 (PTN11_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.77
Drug: cefsulodin
Target: Lethal(3)malignant brain tumor-like protein 1 (Unclassified)
Gene: L3MBTL1
UniProt: Q9Y468 (LMBL1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.01
Assay: Inhibition of L3MBTL1 (unknown origin) by AlphaScreen assay
Drug: cefsulodin
Target: Protein-tyrosine phosphatase 1C (Enzyme)
Gene: PTPN6
UniProt: P29350 (PTN6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Drug: cefsulodin
Target: tRNA 2'-phosphotransferase (Unclassified)
Gene: TPT1
UniProt: Q5A7N4 (Q5A7N4_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: IC50 = 5.77
Assay: Active
Drug: ceftazidime
Target: Peptidoglycan synthase FtsI (Enzyme)
Gene: ftsI
UniProt: P0AD68 (FTSI_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.261
Action type: INHIBITOR
Drug: ceftazidime
Target: Penicillin-binding protein 1A (Enzyme)
Gene: mrcA
UniProt: P02918 (PBPA_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.534
Action type: INHIBITOR
Drug: ceftazidime
Target: Penicillin-binding protein 1B (Enzyme)
Gene: mrcB
UniProt: P02919 (PBPB_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 4.96
Action type: INHIBITOR
Drug: ceftibuten
Target: Penicillin-binding protein (Enzyme)
UniProt: Q1J5W5 (Q1J5W5_STRPF)
Organism: Streptococcus pyogenes serotype M4 (strain MGAS10750)
Drug: ceftibuten
Target: Penicillin-binding protein 3 (Enzyme)
Gene: pbp3
UniProt: Q60FU1 (Q60FU1_HAEIF)
Organism: Haemophilus influenzae
Drug: ceftibuten
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: ceftizoxime
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: ceftizoxime
Target: Beta-lactamase (Enzyme)
Gene: penP
UniProt: P00808 (BLAC_BACLI)
Organism: Bacillus licheniformis
Drug: ceftizoxime
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: ceftriaxone
Target: Peptidoglycan synthase FtsI (Enzyme)
Gene: ftsI
UniProt: P0AD68 (FTSI_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.142
Action type: INHIBITOR
Drug: ceftriaxone
Target: Penicillin-binding protein 1A (Enzyme)
Gene: mrcA
UniProt: P02918 (PBPA_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.513
Action type: INHIBITOR
Drug: ceftriaxone
Target: Penicillin-binding protein 1B (Enzyme)
Gene: mrcB
UniProt: P02919 (PBPB_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5.744
Action type: INHIBITOR
Drug: ceftriaxone
Target: Penicillin-binding protein 2 (Enzyme)
Gene: mrdA
UniProt: P0AD65 (PBP2_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.213
Action type: INHIBITOR
Drug: ceftriaxone
Target: D-amino-acid oxidase (Enzyme)
Gene: DAO
UniProt: P14920 (OXDA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Drug: cefuroxime
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefuroxime
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.92
Drug: cefuroxime
Target: 72 kDa type IV collagenase (Enzyme)
Gene: MMP2
UniProt: P08253 (MMP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.37
Drug: cefuroxime
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Drug: cefuroxime
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: cefuroxime axetil
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: celecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.24
Action type: INHIBITOR
Drug: celecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.3
Assay: Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes.
Drug: celecoxib
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.854
Assay: DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)
Drug: celecoxib
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.477
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: celecoxib
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.14
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: celecoxib
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.16
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: celecoxib
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.917
Assay: DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)
Drug: celecoxib
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.18
Drug: celecoxib
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: celecoxib
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.856
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: celecoxib
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.68
Drug: celecoxib
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.3
Assay: Inhibitory activity against human carbonic anhydrase I (hCAI)
Drug: celecoxib
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.06
Assay: Inhibitory activity against human carbonic anhydrase IV (hCAIV)
Drug: celecoxib
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.8
Assay: Inhibitory activity against human carbonic anhydrase IX at 0.09 uM
Drug: celecoxib
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.74
Assay: Inhibitory activity against cloned human CA12
Drug: celecoxib
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.1
Assay: Inhibition of human recombinant carbonic anhydrase 5a after 15 mins by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.03
Assay: Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.66
Assay: Inhibition of human recombinant carbonic anhydrase 7 after 15 mins by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O76074 (PDE5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.44
Assay: Fluorescence Polarization Assay: PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substrate to immobilized metal coordination complexes increases fluorescence polarization (FP). Tetramethylrhodamine (TAMRA)-cGMP and fluorescein-cAMP were used as substrates, each at final concentration of 50 nmol/L. The PDE assay was done according to the manufacturer's specifications using either whole cell lysates or recombinant enzymes. FP was measured at excitation, emission wavelengths of either 530,590 nm for TAMRA-cGMP or 485,530 nm for fluorescein-cAMP using a Synergy4 (Biotek) microplate reader.
Drug: celecoxib
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Enzyme)
Gene: PDE4A
UniProt: P27815 (PDE4A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.033
Assay: DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)
Drug: celecoxib
Target: Histone deacetylase 1 (Enzyme)
Gene: HDAC1
UniProt: Q13547 (HDAC1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.93
Assay: Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
Drug: celecoxib
Target: Histone deacetylase 6 (Enzyme)
Gene: HDAC6
UniProt: Q9UBN7 (HDAC6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.19
Assay: Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
Drug: celecoxib
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.13
Assay: Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: celecoxib
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.03
Assay: Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay
Drug: celecoxib
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.16
Assay: Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.09
Assay: Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score=-12.4 kcal/mol
Drug: celecoxib
Target: Cytochrome c oxidase subunit 2 (Enzyme)
Gene: MT-CO2
UniProt: P00403 (COX2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.27
Assay: Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA
Drug: celecoxib
Target: 3-phosphoinositide-dependent protein kinase 1 (Kinase)
Gene: PDPK1
UniProt: O15530 (PDPK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.32
Assay: Inhibition of recombinant PDK1 using RPRAATF as substrate by scintillation counting
Drug: celecoxib
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 5.627
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: celecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: Ptgs2
UniProt: Q05769 (PGH2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 9.29
Assay: Inhibition of LPS-induced COX2 activity in C57BL/6J mouse peritoneal macrophages by RIA
Drug: celecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: Ptgs1
UniProt: P22437 (PGH1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 9.15
Assay: Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages
Drug: celecoxib
Target: Cyclooxygenase 2; Prostaglandin G/H synthase-2; Uncharacterized protein (Enzyme)
Gene: PTGS2
UniProt: Q8SPQ9 (Q8SPQ9_CANFA)
Organism: Canis familiaris
Activity: IC50 = 6.05
Assay: In vitro inhibitory activity against canine prostaglandin G/H synthase 2.
Drug: celecoxib
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: Q95323 (CAH4_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.54
Assay: Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)
Drug: celecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P05979 (PGH1_SHEEP)
Organism: Ovis aries
Activity: IC50 = 8.43
Assay: Inhibition of COX1
Drug: celecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: O62698 (PGH2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 7.24
Assay: In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
Drug: celecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: Ptgs2
UniProt: P35355 (PGH2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.96
Assay: In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2
Drug: celecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: Ptgs1
UniProt: Q63921 (PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.85
Assay: In vitro inhibitory concentration against rat prostaglandin G/H synthase 1
Drug: celecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: Q8HZR1 (PGH1_CANFA)
Organism: Canis familiaris
Activity: IC50 = 5.25
Assay: In vitro inhibitory activity against canine prostaglandin G/H synthase 1.
Drug: celecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 7.4
Assay: Inhibition of ovine COX2
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: P40881 (CAH_METTE)
Organism: Methanosarcina thermophila
Activity: Ki = 6.85
Assay: Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: Q50565 (Q50565_METTH)
Organism: Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)
Activity: Ki = 4.41
Assay: Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum
Drug: celecoxib
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.01
Assay: Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.35
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay
Drug: celecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: O62664 (PGH1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.11
Assay: Inhibition of bovine COX1 by enzyme immunoassay
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: P53615 (CAN_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 6.97
Assay: Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 7.68
Assay: Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase (Enzyme)
UniProt: P96878 (P96878_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 5.11
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: Q6FTL6 (Q6FTL6_CANGA)
Organism: Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)
Activity: Ki = 6.94
Assay: Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay
Drug: celecoxib
Target: Alpha carbonic anhydrase (Enzyme)
Gene: CA
UniProt: B5SU02 (B5SU02_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 7.47
Assay: Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay
Drug: celecoxib
Target: Cytochrome c oxidase subunit 2 (Enzyme)
Gene: MT-CO2
UniProt: O78750 (COX2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 7.22
Assay: Inhibition of sheep COX2
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
Gene: CA2
UniProt: C0IX24 (C0IX24_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 6.16
Assay: Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay
Drug: celecoxib
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 5.51
Assay: Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
Drug: celecoxib
Target: Astrosclerin-3 (Enzyme)
UniProt: A6YCJ1 (A6YCJ1_9METZ)
Organism: Astrosclera willeyana
Activity: Ki = 6.14
Assay: Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
Drug: celecoxib
Target: Beta-carbonic anhydrase 1 (Enzyme)
Gene: mtcA1
UniProt: P9WPJ7 (MTCA1_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 4.99
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay
Drug: celecoxib
Target: Delta carbonic anhydrase (Unclassified)
Gene: ca1
UniProt: Q5U9J1 (Q5U9J1_THAWE)
Organism: Thalassiosira weissflogii
Activity: Ki = 6.58
Assay: Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay