AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: dorzolamide
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 = 6.86
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay
Drug: dorzolamide
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 = 5.18
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: dorzolamide
Target: Alpha carbonic anhydrase (Enzyme)
Gene: CA
UniProt: B5SU02 (B5SU02_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 7.74
Assay: Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay
Drug: dorzolamide
Target: Carbonic anhydrase (Enzyme)
Gene: CA2
UniProt: C0IX24 (C0IX24_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 6.95
Assay: Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay
Drug: dorzolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 5.08
Assay: Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
Drug: dorzolamide
Target: Astrosclerin-3 (Enzyme)
UniProt: A6YCJ1 (A6YCJ1_9METZ)
Organism: Astrosclera willeyana
Activity: Ki = 6.55
Assay: Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
Drug: dorzolamide
Target: Beta-carbonic anhydrase 1 (Enzyme)
Gene: mtcA1
UniProt: P9WPJ7 (MTCA1_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.13
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay
Drug: dorzolamide
Target: Delta carbonic anhydrase (Unclassified)
Gene: ca1
UniProt: Q5U9J1 (Q5U9J1_THAWE)
Organism: Thalassiosira weissflogii
Activity: Ki = 7.3
Assay: Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
Drug: dorzolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: mtcA2
UniProt: P9WPJ9 (MTCA2_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 7
Assay: Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay
Drug: dorzolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q5TU56 (Q5TU56_ANOGA)
Organism: Anopheles gambiae
Activity: Ki = 6.56
Drug: dorzolamide
Target: Carbonic anhydrase, alpha family (Unclassified)
UniProt: Q31FD6 (Q31FD6_HYDCU)
Organism: Hydrogenovibrio crunogenus (strain XCL-2)
Activity: Ki = 8.15
Assay: Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: dorzolamide
Target: Carbonate dehydratase (Enzyme)
UniProt: B2V8E3 (B2V8E3_SULSY)
Organism: Sulfurihydrogenibium sp. (strain YO3AOP1)
Activity: Ki = 8.1
Assay: Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: dosulepin
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.066
Action type: INHIBITOR
Drug: dosulepin
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.337
Action type: INHIBITOR
Drug: dosulepin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.588
Drug: dosulepin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.378
Drug: dosulepin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.921
Drug: dosulepin
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.699
Drug: dosulepin
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.744
Drug: dosulepin
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.963
Drug: dosulepin
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.42
Drug: dosulepin
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.215
Drug: dosulepin
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.036
Drug: dosulepin
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.275
Drug: doxapram
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: doxapram
Target: Potassium channel subfamily K member 3 (Ion channel)
Gene: KCNK3
UniProt: O14649 (KCNK3_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN
Drug: doxapram
Target: Potassium channel subfamily K member 9 (Ion channel)
Gene: KCNK9
UniProt: Q9NPC2 (KCNK9_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN
Drug: doxazosin
Target: 5-hydroxytryptamine receptor 4 (GPCR)
Gene: HTR4
UniProt: O70528 (5HT4R_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 6.896
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)
Drug: doxazosin
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.724
Assay: DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)
Drug: doxazosin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.14
Assay: Binding affinity against Alpha-2A adrenergic receptor, from human clones.
Drug: doxazosin
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.23
Drug: doxazosin
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Drug: doxazosin
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.845
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: doxazosin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.631
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: doxazosin
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.545
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
Drug: doxazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Action type: ANTAGONIST
Drug: doxazosin
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.55
Assay: Binding affinity against Alpha-2C adrenergic receptor from human clones.
Drug: doxazosin
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.827
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: doxazosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.85
Action type: ANTAGONIST
Drug: doxazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.1
Action type: ANTAGONIST
Drug: doxazosin
Target: Interstitial collagenase (Enzyme)
Gene: MMP1
UniProt: P03956 (MMP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Assay: DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
Drug: doxazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.381
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: doxazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.81
Drug: doxazosin
Target: HLA class I histocompatibility antigen, A-3 alpha chain (Unclassified)
Gene: HLA-A
UniProt: P04439 (1A03_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.8
Assay: Binding affinity to human biotinylated HLA-A2 by surface plasmon resonance assay
Drug: doxepin
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.5
Drug: doxepin
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.5
Drug: doxepin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.3
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: doxepin
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.577
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: doxepin
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.17
Action type: INHIBITOR
Drug: doxepin
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.53
Action type: INHIBITOR
Drug: doxepin
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.538
Drug: doxepin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.45
Drug: doxepin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.2
Drug: doxepin
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7
Drug: doxepin
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.98
Assay: Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting
Drug: doxepin
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Drug: doxepin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.629
Drug: doxepin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.21
Drug: doxepin
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.325
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: doxepin
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.736
Assay: DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)
Drug: doxepin
Target: Histamine H4 receptor (GPCR)
Gene: HRH4
UniProt: Q9H3N8 (HRH4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.79
Drug: doxepin
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.42
Drug: doxepin
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.796
Drug: doxepin
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.284
Drug: doxepin
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.086
Drug: doxepin
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.125
Drug: doxepin
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Drug: doxepin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.367
Assay: DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
Drug: doxepin
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.95
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay
Drug: doxepin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.481
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: doxepin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 11
Assay: Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor
Drug: doxepin
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.886
Drug: doxepin
Target: Serotonin (5-HT) receptor (GPCR)
Gene: Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b
UniProt: P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16 (5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.7
Assay: Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor
Drug: doxepin
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.75
Action type: ANTAGONIST
Drug: doxercalciferol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: doxifluridine
Target: Thymidylate synthase (Enzyme)
Gene: TYMS
UniProt: P04818 (TYSY_HUMAN)
Organism: Homo sapiens
Drug: doxorubicin
Target: 5-hydroxytryptamine receptor 4 (GPCR)
Gene: HTR4
UniProt: O70528 (5HT4R_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 5.682
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)
Drug: doxorubicin
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.01
Assay: Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after 48 hrs by MTT assay (Rvb = 43.75 to 96.91 uM)
Drug: doxorubicin
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.433
Assay: DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: doxorubicin
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Drug: doxorubicin
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Action type: INHIBITOR
Assay: Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form
Drug: doxorubicin
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: doxorubicin
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Drug: doxorubicin
Target: Multidrug resistance-associated protein 6 (Transporter)
Gene: ABCC6
UniProt: O95255 (MRP6_HUMAN)
Organism: Homo sapiens
Drug: doxorubicin
Target: Caspase-1 (Enzyme)
Gene: CASP1
UniProt: P29466 (CASP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.914
Assay: DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)
Drug: doxorubicin
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.496
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: doxorubicin
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.288
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: doxorubicin
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.605
Assay: DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: doxorubicin
Target: 72 kDa type IV collagenase (Enzyme)
Gene: MMP2
UniProt: P08253 (MMP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.96
Assay: Inhibitory concentration against Clostridium histolyticum Collagenase
Drug: doxorubicin
Target: DNA topoisomerase 1 (Enzyme)
Gene: TOP1
UniProt: P11387 (TOP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.7
Assay: Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis
Drug: doxorubicin
Target: Telomerase reverse transcriptase (Enzyme)
Gene: TERT
UniProt: O14746 (TERT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.14
Assay: Inhibition of telomerase from human COLO201 cell
Drug: doxorubicin
Target: DNA topoisomerase 2-beta (Enzyme)
Gene: TOP2B
UniProt: Q02880 (TOP2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.46
Assay: Inhibition of human topoisomerase-2B after 2 hrs by ELISA
Drug: doxorubicin
Target: Aurora kinase A (Kinase)
Gene: AURKA
UniProt: O14965 (AURKA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.4
Assay: Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins by scintillation counting
Drug: doxorubicin
Target: Ribonuclease pancreatic (Enzyme)
Gene: RNASE1
UniProt: P61823 (RNAS1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.6
Assay: Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration
Drug: doxorubicin
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 4.867
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: doxorubicin
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: Htr1b
UniProt: P28564 (5HT1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.805
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)
Drug: doxorubicin
Target: Integrase (Enzyme)
Gene: pol
UniProt: Q7ZJM1 (Q7ZJM1_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 6.05
Assay: Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing
Drug: doxorubicin
Target: Reverse transcriptase (Enzyme)
Gene: reverse transcriptas
UniProt: Q9WKE8 (Q9WKE8_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 4.28
Assay: Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay
Drug: doxorubicin
Target: Type-2 restriction enzyme HindIII (Unclassified)
Gene: hindIIIR
UniProt: P43870 (T2D3_HAEIN)
Organism: Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Activity: IC50 = 4.02
Assay: Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration
Drug: doxorubicin
Target: Type-2 restriction enzyme ScaI (Unclassified)
Gene: scaIR
UniProt: O52691 (T2S1_STRCS)
Organism: Streptomyces caespitosus
Activity: IC50 = 4.6
Assay: Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration
Drug: doxorubicin
Target: ORF 73 (Unclassified)
UniProt: O40947 (O40947_HHV8)
Organism: Human herpesvirus 8
Activity: AC50 = 5.84
Assay: Active
Drug: doxorubicin
Target: UDP-galactopyranose mutase (Enzyme)
Gene: glf
UniProt: P9WIQ1 (GLF_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: AC50 = 4.49
Assay: active
Drug: doxorubicin
Target: CDGSH iron-sulfur domain-containing protein 1 (Unclassified)
Gene: CISD1
UniProt: Q9NZ45 (CISD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.46
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: doxycycline
Target: 50S ribosomal protein L10 (Ribosomal protein)
Gene: rpl10
UniProt: P15825 (RL10_HALMA)
Organism: Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)
Drug: doxycycline
Target: 72 kDa type IV collagenase (Enzyme)
Gene: MMP2
UniProt: P08253 (MMP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.62
Assay: Inhibition of human MMP2
Drug: doxycycline
Target: Stromelysin-1 (Enzyme)
Gene: MMP3
UniProt: P08254 (MMP3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.6
Assay: Inhibition of human MMP3
Drug: doxycycline
Target: Neutrophil collagenase (Enzyme)
Gene: MMP8
UniProt: P22894 (MMP8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.6
Action type: INHIBITOR
Drug: doxycycline
Target: Collagenase 3 (Enzyme)
Gene: MMP13
UniProt: P45452 (MMP13_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.4
Action type: INHIBITOR
Assay: Inhibition of human MMP13
Drug: doxycycline
Target: Tetracycline resistance protein, class B (Transporter)
Gene: tetA
UniProt: P02980 (TCR2_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 5.04
Drug: doxycycline
Target: Zinc finger protein mex-5 (Cytosolic other)
Gene: mex-5
UniProt: Q9XUB2 (MEX5_CAEEL)
Organism: Caenorhabditis elegans
Activity: EC50 = 4.42
Drug: doxycycline
Target: Matrilysin (Enzyme)
Gene: MMP7
UniProt: P09237 (MMP7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.14
Action type: INHIBITOR
Drug: doxylamine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL231; SINGLE PROTEIN
Drug: drostanolone propionate
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: droperidol
Target: 5-hydroxytryptamine receptor 4 (GPCR)
Gene: HTR4
UniProt: O70528 (5HT4R_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 6.199
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)