AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: celecoxib
Target: Carbonic anhydrase 2 (Enzyme)
Gene: mtcA2
UniProt: P9WPJ9 (MTCA2_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.15
Assay: Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay
Drug: celecoxib
Target: Prostaglandin E synthase (Enzyme)
Gene: PTGES
UniProt: O14684 (PTGES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.37
Assay: Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis
Drug: celecoxib
Target: Cytochrome c oxidase subunit 1 (Enzyme)
Gene: MT-CO1
UniProt: O78749 (COX1_SHEEP)
Organism: Ovis aries
Activity: IC50 = 4.61
Assay: Inhibition of sheep COX1
Drug: celecoxib
Target: Carbonic anhydrase (Enzyme)
UniProt: Q5TU56 (Q5TU56_ANOGA)
Organism: Anopheles gambiae
Activity: Ki = 6.76
Drug: celecoxib
Target: Carbonic anhydrase, alpha family (Unclassified)
UniProt: Q31FD6 (Q31FD6_HYDCU)
Organism: Hydrogenovibrio crunogenus (strain XCL-2)
Activity: Ki = 6.01
Assay: Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: celecoxib
Target: Carbonate dehydratase (Enzyme)
UniProt: B2V8E3 (B2V8E3_SULSY)
Organism: Sulfurihydrogenibium sp. (strain YO3AOP1)
Activity: Ki = 8.16
Assay: Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: celiprolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.8
Action type: AGONIST
Drug: celiprolol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.05
Drug: celiprolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.1
Action type: ANTAGONIST
Drug: cefalexin
Target: Penicillin-binding protein 3 (Enzyme)
Gene: pbpC
UniProt: P42971 (PBPC_BACSU)
Organism: Bacillus subtilis (strain 168)
Drug: cefalexin
Target: Solute carrier family 15 member 2 (Transporter)
Gene: SLC15A2
UniProt: Q16348 (S15A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.38
Drug: cefalexin
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: cefaloglycin
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: cefalotin
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.7
Drug: cefalotin
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefalotin
Target: Solute carrier family 22 member 8 (Transporter)
Gene: SLC22A8
UniProt: Q8TCC7 (S22A8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.59
Action type: INHIBITOR
Drug: cefalotin
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.66
Drug: cefalotin
Target: Solute carrier family 22 member 11 (Transporter)
Gene: SLC22A11
UniProt: Q9NSA0 (S22AB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.7
Action type: INHIBITOR
Drug: cefalotin
Target: Somatostatin receptor type 4 (GPCR)
Gene: SSTR4
UniProt: P31391 (SSR4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.4
Drug: cefalotin
Target: Tyrosine-protein phosphatase non-receptor type 7 (Enzyme)
Gene: PTPN7
UniProt: P35236 (PTN7_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.04
Drug: cefalotin
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: cefapirin
Target: Cannabinoid receptor 1 (GPCR)
Gene: CNR1
UniProt: P21554 (CNR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.07
Drug: cefapirin
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.34
Drug: cefapirin
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.66
Drug: cefapirin
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.21
Drug: cefapirin
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.31
Drug: cefapirin
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.48
Drug: cefapirin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.82
Drug: cefapirin
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.59
Drug: cefapirin
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Drug: cefapirin
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefapirin
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Drug: cefapirin
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.84
Drug: cefapirin
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.01
Drug: cefapirin
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.29
Drug: cefapirin
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.06
Drug: cefapirin
Target: Substance-P receptor (GPCR)
Gene: TACR1
UniProt: P25103 (NK1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.89
Drug: cefapirin
Target: Nischarin (Membrane receptor)
Gene: NISCH
UniProt: Q9Y2I1 (NISCH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Drug: cefapirin
Target: Interstitial collagenase (Enzyme)
Gene: MMP1
UniProt: P03956 (MMP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.43
Drug: cefapirin
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Drug: cefapirin
Target: Cytochrome P450 3A5 (Enzyme)
Gene: CYP3A5
UniProt: P20815 (CP3A5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.11
Drug: cefapirin
Target: Somatostatin receptor type 4 (GPCR)
Gene: SSTR4
UniProt: P31391 (SSR4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.17
Drug: cefapirin
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: cefradine
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: cefradine
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.4
Drug: cefradine
Target: Somatostatin receptor type 4 (GPCR)
Gene: SSTR4
UniProt: P31391 (SSR4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Drug: cefradine
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: cerivastatin
Target: Nuclear receptor subfamily 1 group I member 3 (Nuclear hormone receptor)
Gene: NR1I3
UniProt: Q14994 (NR1I3_HUMAN)
Organism: Homo sapiens
Drug: cerivastatin
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Enzyme)
Gene: HMGCR
UniProt: P04035 (HMDH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Action type: INHIBITOR
Drug: cerivastatin
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Enzyme)
Gene: Hmgcr
UniProt: P51639 (HMDH_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.55
Assay: Inhibition of rat microsomal HMG-CoA reductase assessed as inhibition of cholesterol synthesis after 30 mins
Drug: cerulenin
Target: Fatty acid synthase (Enzyme)
Gene: FASN
UniProt: P49327 (FAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Assay: Inhibition of human FAS assessed as synthesis of long chain fatty acids from malonyl CoA after 60 mins by fluorescence assay
Drug: cerulenin
Target: Coagulation factor XIII A chain (Enzyme)
Gene: F13A1
UniProt: P00488 (F13A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.4
Drug: cerulenin
Target: Pol polyprotein (Enzyme)
Gene: pol
UniProt: Q72874 (Q72874_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 5.6
Assay: The compound was tested for its affinity against HIV-1 protease in vitro
Drug: ceruletide
Target: Cholecystokinin receptor type A (GPCR)
Gene: CCKAR
UniProt: P32238 (CCKAR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: cetirizine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Inhibition of human Potassium channel HERG expressed in mammalian cells
Drug: cetirizine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.91
Action type: ANTAGONIST
Drug: cetirizine
Target: Angiopoietin-1 receptor (Kinase)
Gene: TEK
UniProt: Q02763 (TIE2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.05
Assay: Binding affinity to human recombinant Tie2 by SPR assay
Drug: cetrorelix
Target: Lutropin-choriogonadotropic hormone receptor (GPCR)
Gene: LHCGR
UniProt: P22888 (LSHR_HUMAN)
Organism: Homo sapiens
Drug: cetrorelix
Target: Gonadotropin-releasing hormone receptor (GPCR)
Gene: GNRHR
UniProt: P30968 (GNRHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Action type: ANTAGONIST
Assay: GRAC: human GnRH1 selective antagonist
Drug: cevimeline
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.638
Action type: AGONIST
Drug: cevimeline
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.983
Drug: cevimeline
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.319
Action type: AGONIST
Drug: cevimeline
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.883
Drug: cevimeline
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.201
Drug: chlorambucil
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.55
Drug: chlorambucil
Target: Cathepsin D (Enzyme)
Gene: CTSD
UniProt: P07339 (CATD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.93
Drug: chlorambucil
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.026
Assay: DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)
Drug: chlorambucil
Target: Cathepsin E (Enzyme)
Gene: CTSE
UniProt: P14091 (CATE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.78
Drug: chlorambucil
Target: Disintegrin and metalloproteinase domain-containing protein 9 (Enzyme)
Gene: ADAM9
UniProt: Q13443 (ADAM9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.25
Drug: chloramphenicol
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.25
Drug: chloramphenicol
Target: Chloramphenicol acetyltransferase (Enzyme)
Gene: cat
UniProt: P62580 (CAT_SALTI)
Organism: Salmonella typhi
Activity: Kd = 4.89
Drug: chloramphenicol
Target: Streptokinase A (Enzyme)
Gene: ska
UniProt: P10520 (STRP_STRP1)
Organism: Streptococcus pyogenes serotype M1
Activity: EC50 = 6.01
Drug: chloramphenicol
Target: Probable HTH-type transcriptional regulator TtgR (Unclassified)
Gene: ttgR
UniProt: Q88N29 (TTGR_PSEPK)
Organism: Pseudomonas putida (strain KT2440)
Activity: Kd = 4.88
Drug: chlorcyclizine
Target: Apoptosis regulator Bcl-2 (Cytosolic other)
Gene: BCL2
UniProt: P10415 (BCL2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.22
Assay: Binding affinity to Bcl-2 by NMR titration assay
Drug: chlordiazepoxide
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.682
Assay: DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)
Drug: chlordiazepoxide
Target: Thyrotropin-releasing hormone receptor (GPCR)
Gene: TRHR
UniProt: P34981 (TRFR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.538
Drug: chlordiazepoxide
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: Ki = 4.3
Assay: Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method
Drug: chlordiazepoxide
Target: Translocator protein (Membrane receptor)
Gene: Tspo
UniProt: P16257 (TSPO_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.36
Assay: Binding affinity against rat benzodiazepine (BZD) receptor
Drug: chlordiazepoxide
Target: Thyrotropin-releasing hormone receptor (GPCR)
Gene: Trhr
UniProt: Q01717 (TRFR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.82
Action type: ANTAGONIST
Drug: chlordiazepoxide
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P81908 (CHLE_HORSE)
Organism: Equus caballus
Activity: Ki = 6.52
Assay: Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method
Drug: chlordiazepoxide
Target: Thyrotropin-releasing hormone receptor (GPCR)
Gene: Trhr
UniProt: P21761 (TRFR_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.7
Action type: ANTAGONIST
Drug: chlordiazepoxide
Target: GABA-A receptor alpha-1/beta-2/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB2
UniProt: P14867|P18507|P47870 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.252
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: chlordiazepoxide
Target: GABA-A receptor alpha-2/beta-3/gamma-2 (Ion channel)
Gene: GABRG2|GABRB3|GABRA2
UniProt: P18507|P28472|P47869 (GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.337
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: chlordiazepoxide
Target: GABA-A receptor alpha-3/beta-3/gamma-2 (Ion channel)
Gene: GABRG2|GABRB3|GABRA3
UniProt: P18507|P28472|P34903 (GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.561
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: chlordiazepoxide
Target: GABA-A receptor alpha-5/beta-3/gamma-2 (Ion channel)
Gene: GABRG2|GABRB3|GABRA5
UniProt: P18507|P28472|P31644 (GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.495
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: chlordiazepoxide
Target: GABA-A receptor alpha-1/beta-3/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB3
UniProt: P14867|P18507|P28472 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.25
Assay: Inhibition of [3H]Ro-151788 binding to human GABA A receptor (alpha-1-beta-3-gamma-2) stably expressed in L(tk-) cells.
Drug: chlordiazepoxide
Target: GABA-A receptor; anion channel (Ion channel)
Gene: Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre
UniProt: O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14 (GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.7
Assay: Inhibitory concentration against specific binding of [3H]diazepam to Benzodiazepine receptor in rat brain
Drug: chlordiazepoxide
Target: GABA-A receptor; anion channel (Ion channel)
Gene: GABRA1|GABRB1|GABRA2|GABRA3|GABRA4|GABRG2
UniProt: P08219|P08220|P10063|P10064|P20237|P22300 (GBRA1_BOVIN|GBRB1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRG2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 6.1
Assay: Inhibition of [3H]flunitrazepam binding to benzodiazepine receptor in bovine brain membrane
Drug: chlordiazepoxide
Target: Cholecystokinin receptor (GPCR)
Gene: CCKAR|CCKBR
UniProt: P32238|P32239 (CCKAR_HUMAN|GASR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4
Assay: Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue
Drug: chlordiazepoxide
Target: Cholecystokinin receptor (GPCR)
Gene: Cckar|Cckbr
UniProt: P30551|P30553 (CCKAR_RAT|GASR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4
Assay: Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue
Drug: chlorhexidine
Target: 72 kDa type IV collagenase (Enzyme)
Gene: MMP2
UniProt: P08253 (MMP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Assay: Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader
Drug: chlorhexidine
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Assay: Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader
Drug: chlorhexidine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.68
Assay: Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: chlorhexidine
Target: Trypanothione reductase (Enzyme)
Gene: TPR
UniProt: P28593 (TYTR_TRYCR)
Organism: Trypanosoma cruzi
Activity: Ki = 5.7
Assay: Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (40 mM Hepes, 1 mM EDTA, pH 7.5)
Drug: chlorhexidine
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: chlorhexidine
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.15
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: chlorhexidine
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.3
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: chlorhexidine
Target: Solute carrier family 22 member 3 (Transporter)
Gene: SLC22A3
UniProt: O75751 (S22A3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.39
Assay: Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: chlorhexidine
Target: CAAX prenyl protease 2 (Enzyme)
Gene: RCE1
UniProt: Q03530 (RCE1_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: AC50 = 5.24
Assay: Active
Drug: chlorhexidine
Target: Synaptojanin-2 (Enzyme)
Gene: SYNJ2
UniProt: O15056 (SYNJ2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay
Drug: chlormadinone
Target: Sodium/potassium-transporting ATPase subunit alpha-2 (Ion channel)
Gene: ATP1A2
UniProt: D2WKD8 (AT1A2_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.34
Assay: DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)
Drug: chlormadinone
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.764
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: chlormadinone
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.523
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: chlormadinone
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.68
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: chlormadinone
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 9.163
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: clomethiazole
Target: GABA-A receptor alpha-1/beta-3/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB3
UniProt: P14867|P18507|P28472 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN)
Organism: Homo sapiens
Drug: chloroprocaine
Target: Sodium channel protein type 10 subunit alpha (Ion channel)
Gene: SCN10A
UniProt: Q9Y5Y9 (SCNAA_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Drug: chloropyramine
Target: Focal adhesion kinase 1 (Kinase)
Gene: PTK2
UniProt: Q05397 (FAK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.24
Assay: Binding affinity to biotinylated human FAK FAT domain by biolayer interoferometry
Drug: chloroquine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.36
Assay: Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine
Drug: chloroquine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.1
Assay: Displacement of [3H]-pentazocin from the Sigma1 receptor
Drug: chloroquine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.6
Drug: chloroquine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.5
Assay: Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine
Drug: chloroquine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.04
Assay: Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB
Drug: chloroquine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.33
Assay: Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB