AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: ubenimex
Target: Aminopeptidase B (Enzyme)
Gene: Rnpep
UniProt: Q8VCT3 (AMPB_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.22
Assay: Inhibition of Aminopeptidase B in murine L-cells by Aoyagi method.
Drug: ubenimex
Target: Leucyl-cystinyl aminopeptidase (Enzyme)
Gene: Lnpep
UniProt: P97629 (LCAP_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.7
Assay: Inhibition of leucine aminopeptidase
Drug: ubenimex
Target: Aminopeptidase B (Enzyme)
Gene: Rnpep
UniProt: O09175 (AMPB_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.85
Assay: Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver
Drug: ubenimex
Target: Cytosol aminopeptidase (Enzyme)
Gene: LAP3
UniProt: P00727 (AMPL_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.3
Assay: Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis
Drug: ubenimex
Target: Aminopeptidase N (Enzyme)
Gene: Anpep
UniProt: P97449 (AMPN_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.52
Assay: Inhibition of mouse APN
Drug: ubenimex
Target: Bacterial leucyl aminopeptidase (Enzyme)
UniProt: Q01693 (AMPX_VIBPR)
Organism: Vibrio proteolyticus
Activity: Ki = 8.8
Assay: Inhibition of Aeromonas proteolytica leucyl aminopeptidase using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by Dixon plot analysis
Drug: ubenimex
Target: Cytosol aminopeptidase (Enzyme)
Gene: LAP3
UniProt: P28839 (AMPL_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.28
Assay: Inhibition of porcine kidney microsomal LAP using l-leucine-7-amido-4-methylcoumarin as substrate incubated for 60 mins measured every 3 mins by fluorescence assay
Drug: ubenimex
Target: Aminopeptidase N (Enzyme)
Gene: Anpep
UniProt: P15684 (AMPN_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.71
Assay: Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate
Drug: ubenimex
Target: Puromycin-sensitive aminopeptidase (Enzyme)
Gene: NPEPPS
UniProt: P55786 (PSA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.46
Assay: Inhibition of recombinant human N-terminal His6-MBP-tagged PSA expressed in Escherichia coli BL21 STAR (DE3) using 4-Ala-MNA as substrate measured for 30 mins by thefluorescence assay
Drug: ubenimex
Target: Endoplasmic reticulum aminopeptidase 1 (Enzyme)
Gene: ERAP1
UniProt: Q9NZ08 (ERAP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Assay: Inhibition of human ERAP1 expressed in African green monkey COS7 cells using aminoacyl-4-methylcoumaryl-7-amide as substrate after 15 mins by spectrofluorophotometric method
Drug: urapidil
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.456
Drug: urapidil
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.85
Action type: ANTAGONIST
Drug: urapidil
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.9
Action type: ANTAGONIST
Drug: urapidil
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.1
Action type: ANTAGONIST
Drug: ursodiol
Target: Aldo-keto reductase family 1 member C2 (Enzyme)
Gene: AKR1C2
UniProt: P52895 (AK1C2_HUMAN)
Organism: Homo sapiens
Drug: ursodiol
Target: Bile acid receptor (Nuclear hormone receptor)
Gene: NR1H4
UniProt: Q96RI1 (NR1H4_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2047; SINGLE PROTEIN
Drug: ursodiol
Target: G-protein coupled bile acid receptor 1 (GPCR)
Gene: GPBAR1
UniProt: Q8TDU6 (GPBAR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.62
Drug: ursodiol
Target: M1-family alanyl aminopeptidase (Enzyme)
UniProt: Q8IEK1 (Q8IEK1_PLAF7)
Organism: Plasmodium falciparum (isolate 3D7)
Activity: IC50 = 5.59
Assay: Active
Drug: ursodiol
Target: CDGSH iron-sulfur domain-containing protein 1 (Unclassified)
Gene: CISD1
UniProt: Q9NZ45 (CISD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.95
Assay: Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis
Drug: valaciclovir
Target: DNA polymerase catalytic subunit (Enzyme)
UniProt: P04293 (DPOL_HHV11)
Organism: Human herpesvirus 1 (strain 17)
Action type: INHIBITOR
Drug: valdecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.3
Action type: INHIBITOR
Drug: valdecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.57
Assay: In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole blood assay
Drug: valdecoxib
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.537
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: valdecoxib
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.736
Drug: valdecoxib
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.37
Drug: valdecoxib
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.27
Assay: Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method
Drug: valdecoxib
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.87
Assay: Inhibitory activity against human carbonic anhydrase IV (hCAIV)
Drug: valdecoxib
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.57
Drug: valdecoxib
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.89
Assay: Inhibitory activity against cloned human CA12
Drug: valdecoxib
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.04
Assay: Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: valdecoxib
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.06
Assay: Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: valdecoxib
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.41
Assay: Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: valdecoxib
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.11
Assay: Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: valdecoxib
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.24
Assay: Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay
Drug: valdecoxib
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.97
Assay: Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: valdecoxib
Target: Cytochrome c oxidase subunit 2 (Enzyme)
Gene: MT-CO2
UniProt: P00403 (COX2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.96
Assay: Inhibition of human recombinant cyclooxygenase 2
Drug: valdecoxib
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.37
Assay: Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method
Drug: valdecoxib
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: Q95323 (CAH4_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.47
Assay: Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)
Drug: valdecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: P40881 (CAH_METTE)
Organism: Methanosarcina thermophila
Activity: Ki = 6.89
Assay: Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila
Drug: valdecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: Q50565 (Q50565_METTH)
Organism: Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)
Activity: Ki = 4.21
Assay: Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum
Drug: valdecoxib
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.37
Assay: Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: valdecoxib
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.18
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay
Drug: valdecoxib
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: P53615 (CAN_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 6.18
Assay: Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay
Drug: valdecoxib
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 7.37
Assay: Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay
Drug: valdecoxib
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: valdecoxib
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 = 7.01
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: valdecoxib
Target: Alpha carbonic anhydrase (Enzyme)
Gene: CA
UniProt: B5SU02 (B5SU02_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 7.54
Assay: Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay
Drug: valdecoxib
Target: Carbonic anhydrase (Enzyme)
Gene: CA2
UniProt: C0IX24 (C0IX24_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 5.24
Assay: Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay
Drug: valdecoxib
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 6.15
Assay: Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
Drug: valdecoxib
Target: Astrosclerin-3 (Enzyme)
UniProt: A6YCJ1 (A6YCJ1_9METZ)
Organism: Astrosclera willeyana
Activity: Ki = 6.29
Assay: Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
Drug: valdecoxib
Target: Beta-carbonic anhydrase 1 (Enzyme)
Gene: mtcA1
UniProt: P9WPJ7 (MTCA1_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 4.89
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay
Drug: valdecoxib
Target: Delta carbonic anhydrase (Unclassified)
Gene: ca1
UniProt: Q5U9J1 (Q5U9J1_THAWE)
Organism: Thalassiosira weissflogii
Activity: Ki = 6.42
Assay: Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
Drug: valdecoxib
Target: Carbonic anhydrase 2 (Enzyme)
Gene: mtcA2
UniProt: P9WPJ9 (MTCA2_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.17
Assay: Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay
Drug: valdecoxib
Target: Cytochrome c oxidase subunit 1 (Enzyme)
Gene: MT-CO1
UniProt: O78749 (COX1_SHEEP)
Organism: Ovis aries
Activity: IC50 = 4.02
Assay: Inhibition of ovine cyclooxygenase 1
Drug: valdecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: Q5TU56 (Q5TU56_ANOGA)
Organism: Anopheles gambiae
Activity: Ki = 6.79
Drug: valdecoxib
Target: Carbonic anhydrase, alpha family (Unclassified)
UniProt: Q31FD6 (Q31FD6_HYDCU)
Organism: Hydrogenovibrio crunogenus (strain XCL-2)
Activity: Ki = 6.28
Assay: Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: valdecoxib
Target: Carbonate dehydratase (Enzyme)
UniProt: B2V8E3 (B2V8E3_SULSY)
Organism: Sulfurihydrogenibium sp. (strain YO3AOP1)
Activity: Ki = 8.28
Assay: Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: valethamate
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.7
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: valethamate
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.56
Assay: DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: valethamate
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.72
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: valethamate
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.25
Assay: DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: valethamate
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.44
Assay: DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: valethamate
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.62
Assay: DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: valethamate
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.6
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: valganciclovir
Target: DNA polymerase catalytic subunit (Enzyme)
UniProt: P04293 (DPOL_HHV11)
Organism: Human herpesvirus 1 (strain 17)
Action type: INHIBITOR
Drug: valproic acid
Target: Succinate-semialdehyde dehydrogenase, mitochondrial (Enzyme)
Gene: ALDH5A1
UniProt: P51649 (SSDH_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1911; SINGLE PROTEIN
Drug: valproic acid
Target: Histone deacetylase 2 (Enzyme)
Gene: HDAC2
UniProt: Q92769 (HDAC2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.21
Assay: Inhibition of human recombinant HDAC2
Drug: valproic acid
Target: Histone deacetylase 1 (Enzyme)
Gene: HDAC1
UniProt: Q13547 (HDAC1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Action type: INHIBITOR
Drug: valproic acid
Target: Alcohol dehydrogenase [NADP(+)] (Enzyme)
Gene: AKR1A1
UniProt: P14550 (AK1A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Assay: Inhibition of AK1A1
Drug: valproic acid
Target: Alcohol dehydrogenase [NADP(+)] (Enzyme)
Gene: AKR1A1
UniProt: P50578 (AK1A1_PIG)
Organism: Sus scrofa
Activity: IC50 = 4.05
Assay: Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values
Drug: valproic acid
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.25
Assay: Inhibition of Fischer-344 rat kidney ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry
Drug: valproic acid
Target: Aldose reductase (Enzyme)
Gene: AKR1B1
UniProt: P16116 (ALDR_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.24
Drug: valproic acid
Target: Alcohol dehydrogenase [NADP(+)] (Enzyme)
Gene: Akr1a1
UniProt: P51635 (AK1A1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.3
Assay: Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis
Drug: valproic acid
Target: UDP-glucuronosyltransferase 1-5 (Enzyme)
Gene: UGT1A5
UniProt: P35504 (UD15_HUMAN)
Organism: Homo sapiens
Drug: valproic acid
Target: Aldose reductase-related protein 1 (Enzyme)
Gene: Akr1b7
UniProt: Q5RJP0 (ALD1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.25
Drug: valrubicin
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: valsartan
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P30556 (AGTR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.33
Action type: ANTAGONIST
Assay: Inhibition constant against Angiotensin II receptor, type 1 was determined
Drug: valsartan
Target: Type-1B angiotensin II receptor (GPCR)
Gene: Agtr1b
UniProt: P29089 (AGTRB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.72
Assay: Binding affinity for rat angiotensin II receptor, type 1
Drug: valsartan
Target: Type-1A angiotensin II receptor (GPCR)
Gene: Agtr1
UniProt: P25095 (AGTRA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.47
Assay: Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane
Drug: valsartan
Target: Angiotensin II receptor (AT-1) type-1 (GPCR)
Gene: Agtr1|Agtr1b
UniProt: P25095|P29089 (AGTRA_RAT|AGTRB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.57
Assay: Inhibitory activity against Angiotensin II receptor, type 1 in rat aortic membrane
Drug: vancomycin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Drug: vancomycin
Target: D-alanyl-D-alanine dipeptidase (Enzyme)
Gene: vanX
UniProt: Q06241 (VANX_ENTFC)
Organism: Enterococcus faecium
Activity: Ki = 4.21
Assay: Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrate
Drug: vancomycin
Target: UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase (Enzyme)
Gene: murG
UniProt: P17443 (MURG_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5
Drug: varenicline
Target: Neuronal acetylcholine receptor subunit alpha-7 (Ion channel)
Gene: CHRNA7
UniProt: P36544 (ACHA7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Assay: Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells
Drug: varenicline
Target: Neuronal acetylcholine receptor subunit alpha-7 (Ion channel)
Gene: Chrna7
UniProt: Q05941 (ACHA7_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.49
Assay: Displacement of [125I]iodoMLA from alpha-7 nAChR in rat cerebral cortex
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha2/beta2 (Ion channel)
Gene: Chrna2|Chrnb2
UniProt: P12389|P12390 (ACHA2_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.66
Assay: Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells after 4 hrs
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha3/beta2 (Ion channel)
Gene: Chrna3|Chrnb2
UniProt: P04757|P12390 (ACHA3_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.72
Assay: Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells after 4 hrs
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha3/beta4 (Ion channel)
Gene: Chrna3|Chrnb4
UniProt: P04757|P12392 (ACHA3_RAT|ACHB4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.07
Assay: Displacement of [3H]epibatidine from rat alpha3beta4 nACHR
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha4/beta2 (Ion channel)
Gene: Chrna4|Chrnb2
UniProt: P09483|P12390 (ACHA4_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.3
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nACHR
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha4/beta4 (Ion channel)
Gene: Chrna4|Chrnb4
UniProt: P09483|P12392 (ACHA4_RAT|ACHB4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.82
Assay: Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha4/beta2 (Ion channel)
Gene: CHRNB2|CHRNA4
UniProt: P17787|P43681 (ACHB2_HUMAN|ACHA4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.398
Action type: AGONIST
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha3/beta4 (Ion channel)
Gene: CHRNB4|CHRNA3
UniProt: P30926|P32297 (ACHB4_HUMAN|ACHA3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.066
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha4/beta4 (Ion channel)
Gene: CHRNB4|CHRNA4
UniProt: P30926|P43681 (ACHB4_HUMAN|ACHA4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.96
Assay: Binding affinity to alpha4beta4 nAChR
Drug: varenicline
Target: Acetylcholine receptor; alpha1/beta1/delta/gamma (Ion channel)
Gene: CHRNA1|CHRNG|CHRNB1|CHRND
UniProt: P02708|P07510|P11230|Q07001 (ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.09
Assay: Binding affinity to alpha-1-beta-gamma-delta nicotinic receptor
Drug: varenicline
Target: Neuronal acetylcholine receptor; alpha2/beta4 (Ion channel)
Gene: Chrna2|Chrnb4
UniProt: P12389|P12392 (ACHA2_RAT|ACHB4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.15
Assay: Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells after 4 hrs
Drug: varenicline
Target: Acetylcholine receptor (Ion channel)
Gene: CHRNA1|CHRNB1|CHRNG|chrnd
UniProt: P02710|P02712|P02714|P02718 (ACHA_TORCA|ACHB_TORCA|ACHG_TORCA|ACHD_TORCA)
Organism: Torpedo californica
Activity: Ki = 5.45
Assay: Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax
Drug: vardenafil
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O76074 (PDE5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.155
Action type: INHIBITOR
Drug: vardenafil
Target: Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha (Enzyme)
Gene: PDE6A
UniProt: P16499 (PDE6A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.465
Drug: vardenafil
Target: Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (Enzyme)
Gene: PDE11A
UniProt: Q9HCR9 (PDE11_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.89
Assay: Inhibition of human phosphodiesterase 11
Drug: vardenafil
Target: Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Enzyme)
Gene: PDE1A
UniProt: P54750 (PDE1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.041
Drug: vardenafil
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Enzyme)
Gene: PDE10A
UniProt: Q9Y233 (PDE10_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.1
Assay: Inhibitory concentration against human phosphodiesterase 10
Drug: vardenafil
Target: cGMP-dependent 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE2A
UniProt: O00408 (PDE2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.51
Assay: Inhibition of PDE2 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay