cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2sn09rw
title: BindingDB Entry 50037778: Synthesis and structure-activity relationships of uracil nucleotide derivatives and analogues as agonists at human P2Y2, P2Y4, and P2Y6 receptors.

description: Small molecule binding data for protein Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P51582, Q15077, and Q63371
DOI: 10.7270/q2v125fc
title: BindingDB Entry 50035980: Dopamine autoreceptor agonists as potential antipsychotics. 3.6-Propyl-4,5,5a,6,7,8-hexahydrothiazolo[4,5-f]quinolin-2-amine.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q2v125qz
title: BindingDB Entry 50038665: 7-aryl 1,5-dihydro-benzo[e][1,4]oxazepin-2-ones and analogs as non-steroidal progesterone receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q2wq04tb
title: BindingDB Entry 50039552: Discovery of novel aminoquinazolin-7-yl 6,7-dihydro-indol-4-ones as potent, selective inhibitors of heat shock protein 90.

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1, Uniprot P08238
DOI: 10.7270/q2ws8txp
title: BindingDB Entry 50036865: Synthesis of a substance P antagonist with a somatostatin scaffold: factors affecting agonism/antagonism at GPCRs and the role of pseudosymmetry.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, and Somatostatin receptor, Uniprot P21452, P25103, and P31391
DOI: 10.7270/q2xd12gm
title: BindingDB Entry 50037776: Discovery of conformationally constrained tetracyclic compounds as potent hepatitis C virus NS5B RNA polymerase inhibitors.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2xp75z5
title: BindingDB Entry 50039544: Design of oxobenzimidazoles and oxindoles as novel androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2zs2x4z
title: BindingDB Entry 50035979: Synthesis, ligand binding, QSAR, and CoMFA study of 3 beta-(p-substituted phenyl)tropane-2 beta-carboxylic acid methyl esters.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2zs2xf0
title: BindingDB Entry 50038664: Selective inhibition of aromatase by a dihydroisocoumarin from Xyris pterygoblephara.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 1A1, Cytochrome P450 2C8, and Cytochrome P450 3A, Uniprot P04798, P08684, P10632, and P11511
DOI: 10.7270/q20g3m58
title: BindingDB Entry 50039559: Discovery of nor-seco himbacine analogs as thrombin receptor antagonists.

description: Small molecule binding data for protein Proteinase-activated receptor 1 (PAR1), Uniprot P25116
DOI: 10.7270/q20k298j
title: BindingDB Entry 50036872: Active site binding modes of HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2154hw1
title: BindingDB Entry 50037784: Synthesis and antiviral activity of 5-substituted cytidine analogues: identification of a potent inhibitor of viral RNA-dependent RNA polymerases.

description: Small molecule binding data for protein Poliovirus type 1 polyprotein, Uniprot P03300
DOI: 10.7270/q21j9bdc
title: BindingDB Entry 50036001: Development of potent and selective CCK-A receptor agonists from Boc-CCK-4: tetrapeptides containing Lys(N epsilon)-amide residues.

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P32239 and Q63931
DOI: 10.7270/q22j6csw
title: BindingDB Entry 50038671: Design and in vitro characterization of highly sst2-selective somatostatin antagonists suitable for radiotargeting.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2474bwk
title: BindingDB Entry 50039558: Growth inhibition of Mycobacterium smegmatis by prodrugs of deoxyxylulose phosphate reducto-isomerase inhibitors, promising anti-mycobacterial agents.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot A0QVH7
DOI: 10.7270/q24b321q
title: BindingDB Entry 50036871: 3D-QSAR CoMFA on cyclin-dependent kinase inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5) and Cyclin-dependent kinase 1, Uniprot P06493 and Q00535
DOI: 10.7270/q24x58mf
title: BindingDB Entry 50037783: Structural determinants of opioid activity in derivatives of 14-aminomorphinones: effects of changes to the chain linking of the C14-amino group to the aryl ring.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P35372, P41143, P41144, P41145, and P97266
DOI: 10.7270/q25b0336
title: BindingDB Entry 50035998: New thymidine triphosphate analogue inhibitors of human immunodeficiency virus-1 reverse transcriptase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2668dt9
title: BindingDB Entry 50035989: Preparation and biological activities of potential vasopressin photoaffinity labels.

description: Small molecule binding data for protein AVPR1A and Vasopressin V2 receptor, Uniprot P30560 and P32307
DOI: 10.7270/q26974g5
title: BindingDB Entry 50038670: Studies on the structure-activity relationship of bicifadine analogs as monoamine transporter inhibitors.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, and Transporter, Uniprot P23975, P23977, P31645, P31652, and Q01959
DOI: 10.7270/q27p906s
title: BindingDB Entry 50037790: Elucidation of the bioactive conformation of the N-substituted trans-3,4-dimethyl-4-(3-hydroxyphenyl)piperidine class of mu-opioid receptor antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q28053m9
title: BindingDB Entry 50039557: Design and synthesis of novel 5-phenyl-N-piperidine ethanone containing 4,5-dihydropyrazole derivatives as potential antitumor agents.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2833srn
title: BindingDB Entry 50036870: Novel histamine H(3)-receptor antagonists with carbonyl-substituted 4-(3-(phenoxy)propyl)-1H-imidazole structures like ciproxifan and related compounds.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine N-methyltransferase, Uniprot Q01984 and Q9QYN8
DOI: 10.7270/q29024d6
title: BindingDB Entry 50035997: Probes for the cocaine receptor. Potentially irreversible ligands for the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2930v2p
title: BindingDB Entry 50038677: A re-examination of the difluoromethylenesulfonic acid group as a phosphotyrosine mimic for PTP1B inhibition.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q29z95t9
title: BindingDB Entry 50038669: Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P04058
DOI: 10.7270/q2cf9qw8
title: BindingDB Entry 50037789: Synthesis and pharmacological evaluation of novel octahydro-1H-pyrido[1,2-a]pyrazine as mu-opioid receptor antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2cn74x0
title: BindingDB Entry 50039556: Discovery of oxazole-based PDE4 inhibitors with picomolar potency.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Phosphodiesterase 11A (PDE11A), cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P08684, P10635, P11712, P33261, Q07343, Q08499, and Q9HCR9
DOI: 10.7270/q2dr2w3s
title: BindingDB Entry 50035996: Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design.

description: Small molecule binding data for protein Thermolysin, Uniprot P00800
DOI: 10.7270/q2dr2wf8
title: BindingDB Entry 50038676: (D)-2-tert-Butoxycarbonylamino-5,5-difluoro-5-phenyl-pentanoic acid: synthesis and incorporation into the growth hormone secretagogues.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2h41s84
title: BindingDB Entry 50037788: Farnesoid X-activated receptor antagonists from a marine sponge Spongia sp.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2hd7wnb
title: BindingDB Entry 50039555: Synthesis and structure-activity relationship studies of 3-biaryl-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl esters.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent dopamine transporter, Uniprot P31645 and Q01959
DOI: 10.7270/q2jh3msn
title: BindingDB Entry 50035995: Antiandrogenic steroidal sulfonyl heterocycles. Utility of electrostatic complementarity in defining bioisosteric sulfonyl heterocycles.

description: Small molecule binding data for protein Androgen receptor, Uniprot P15207
DOI: 10.7270/q2m61m77
title: BindingDB Entry 50039562: Discovery of a new binding mode for a series of liver X receptor agonists.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2mc90qt
title: BindingDB Entry 50036876: Structure-activity relationships of 17alpha-derivatives of estradiol as inhibitors of steroid sulfatase.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2mw2hzp
title: BindingDB Entry 50037787: Derivatives of 7-amino-1,2,3,4-tetrahydroisoquinoline and isophthalic acids as novel fibrinogen receptor antagonists.

description: Small molecule binding data for protein Integrin alpha-2/beta-3, Uniprot P05106 and P17301
DOI: 10.7270/q2n58nc2
title: BindingDB Entry 50039554: Structure based design of iminohydantoin BACE1 inhibitors: identification of an orally available, centrally active BACE1 inhibitor.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2p84chc
title: BindingDB Entry 50035994: (+/-)-3-allyl-7-halo-8-hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines as selective high affinity D1 dopamine receptor antagonists: synthesis and structure-activity relationship.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P21728
DOI: 10.7270/q2p84csz
title: BindingDB Entry 50038674: Discovery of novel, potent benzamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) exhibiting oral activity in an enzyme inhibition ex vivo model.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845 and P80365
DOI: 10.7270/q2qz2bz7
title: BindingDB Entry 50039561: Synthesis and biological evaluation of benzoisothiazole derivatives possessing N,N-dimethylformimidamide group as 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2r2123p
title: BindingDB Entry 50036875: Biarylpropylsulfonamides as novel, potent potentiators of 2-amino-3- (5-methyl-3-hydroxyisoxazol-4-yl)- propanoic acid (AMPA) receptors.

description: Small molecule binding data for protein Glutamate receptor ionotropic AMPA, Uniprot P48058
DOI: 10.7270/q2rn38pd
title: BindingDB Entry 50037786: A series of novel, potent, and selective histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q9BY41, Q9UBN7, and Q9UQL6
DOI: 10.7270/q2rx9d3g
title: BindingDB Entry 50039553: 3-Phenyl-5-isothiazole carboxamides with potent mGluR1 antagonist activity.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5, and metabotropic glutamate 1/2, Uniprot P23385, P41594, and Q13255
DOI: 10.7270/q2t1548j
title: BindingDB Entry 50035993: Total synthesis of uracil analogues of sinefungin.

description: Small molecule binding data for protein Protein-beta-aspartate methyltransferase, Uniprot P22061
DOI: 10.7270/q2t154j4
title: BindingDB Entry 50038673: Discovery of a potent, selective, and less flexible selective norepinephrine reuptake inhibitor (sNRI).

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P10635, P23975, P31645, and Q01959
DOI: 10.7270/q2vt1ssv
title: BindingDB Entry 50036874: Synthesis and evaluation of novel steroidal oxime inhibitors of P450 17 (17 alpha-hydroxylase/C17-20-lyase) and 5 alpha-reductase types 1 and 2.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1), Cytochrome P450 17A1, and Steroid 5-alpha-reductase, Uniprot P05093, P11715, P18405, and P31213
DOI: 10.7270/q2wd41d4
title: BindingDB Entry 50037785: Structure-activity relationship studies on a novel series of (S)-2beta-substituted 3alpha-[bis(4-fluoro- or 4-chlorophenyl)methoxy]tropane analogues for in vivo investigation.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Muscarinic acetylcholine receptor M1, Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P08482, P23977, and P31652
DOI: 10.7270/q2xs5w11
title: BindingDB Entry 50035991: Structure-antigastrin activity relationships of new (R)-4-benzamido-5-oxopentanoic acid derivatives.

description: Small molecule binding data for protein CCKBR and Cholecystokinin receptor, Uniprot P30551, P30553, and P32239
DOI: 10.7270/q2xs5w9m
title: BindingDB Entry 50038672: Alpha-glucosidase inhibitor from Kothala-himbutu (Salacia reticulata WIGHT).

description: Small molecule binding data for protein Acidic alpha-glucosidase and alpha-Glucosidase (α-Glucosidase), Uniprot P23739 and Q6P7A9
DOI: 10.7270/q2057grn
title: BindingDB Entry 50037792: Tricyclic pyrazoles. 4. Synthesis and biological evaluation of analogues of the robust and selective CB2 cannabinoid ligand 1-(2',4'-dichlorophenyl)-6-methyl-N-piperidin-1-yl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1 (CB1R), Uniprot P47746 and P47936
DOI: 10.7270/q20k296n
title: BindingDB Entry 50036009: Selective reversible and irreversible ligands for the kappa opioid receptor.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q21j9bpz
title: BindingDB Entry 50038679: Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition.

description: Small molecule binding data for protein C-C chemokine receptor type 3, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P33261, and P51677
DOI: 10.7270/q22z16b7
title: BindingDB Entry 50037800: Discovery and refinement of a new structural class of potent peptide deformylase inhibitors.

description: Small molecule binding data for protein Peptide deformylase, Peptide deformylase 1A, chloroplastic, and Peptide deformylase mitochondrial, Uniprot Q9FV53 and Q9HBH1
DOI: 10.7270/q23779qr
title: BindingDB Entry 50039566: Consequences of linker length alteration of thea7 nicotinic acetylcholine receptor (nAChR) agonist, SEN12333.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P04757, P09483, P12390, P12392, and Q05941
DOI: 10.7270/q23b60t1
title: BindingDB Entry 50036881: 1,3-Diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives: a new series of potent and selective COX-2 inhibitors in which a sulfonyl group is not a structural requisite.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Cyclooxygenase-2 (COX-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437, P23219, P35354, and Q05769
DOI: 10.7270/q23x87g2
title: BindingDB Entry 50037791: Progressive docking: a hybrid QSAR/docking approach for accelerating in silico high throughput screening.

description: Small molecule binding data for protein Testis-specific androgen-binding protein, Uniprot P04278
DOI: 10.7270/q24b31zd
title: BindingDB Entry 50036008: Synthesis and receptor binding properties of fluoro- and iodo-substituted high affinity sigma receptor ligands: identification of potential PET and SPECT sigma receptor imaging agents.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, NMDA receptor subunit 2C (GluN2C), Sigma, and mu/kappa opioid receptor, Uniprot P41144, P61169, Q00961, and Q99720
DOI: 10.7270/q24b327d
title: BindingDB Entry 50038686: Positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4): Part I. Discovery of pyrazolo[3,4-d]pyrimidines as novel mGluR4 positive allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 4 (mGluR4), and metabotropic glutamate 1/2, Uniprot P23385, P31424, and Q14833
DOI: 10.7270/q25b03d7
title: BindingDB Entry 50038678: 1,5-Dihydro-benzo[e][1,4]oxazepin-2(1H)-ones containing a 7-(5'-cyanopyrrol-2-yl) group as nonsteroidal progesterone receptor modulators.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, and P10275
DOI: 10.7270/q26q1z2k
title: BindingDB Entry 50037798: Design, synthesis, and biological evaluation of phenylamino-substituted 6,11-dihydro-dibenzo[b,e]oxepin-11-ones and dibenzo[a,d]cycloheptan-5-ones: novel p38 MAP kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q27082fg
title: BindingDB Entry 50039565: Structure aided design of chimeric antibiotics.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2736rm8
title: BindingDB Entry 50036880: Cyanoindole derivatives as highly selective dopamine D(4) receptor partial agonists: solid-phase synthesis, binding assays, and functional experiments.

description: Small molecule binding data for protein DRD1, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21917, P35462, and Q95136
DOI: 10.7270/q2833szb
title: BindingDB Entry 50038685: Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Uniprot P30305
DOI: 10.7270/q2bg2ptb
title: BindingDB Entry 50037797: Quinol-4-ones as steroid A-ring mimetics in nonsteroidal dissociated glucocorticoid agonists.

description: Small molecule binding data for protein Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, and P08235
DOI: 10.7270/q2br8t5h
title: BindingDB Entry 50039564: Design and synthesis of orally available MEK inhibitors with potent in vivo antitumor efficacy.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Uniprot Q02750
DOI: 10.7270/q2bv7hbp
title: BindingDB Entry 50036879: Carbonic anhydrase inhibitors: perfluoroalkyl/aryl-substituted derivatives of aromatic/heterocyclic sulfonamides as topical intraocular pressure-lowering agents with prolonged duration of action.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, and Q95323
DOI: 10.7270/q2cr5tz0
title: BindingDB Entry 50036006: Cyclic pentapeptide endothelin antagonists with high ETA selectivity. Potency- and solubility-enhancing modifications.

description: Small molecule binding data for protein EDNRB and Endothelin receptor ET-A, Uniprot P24530 and Q29010
DOI: 10.7270/q2cv4jn9
title: BindingDB Entry 50038684: Screening of herbal constituents for aromatase inhibitory activity.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2fn16wq
title: BindingDB Entry 50036887: Semisynthesis of antitumoral acetogenins: SAR of functionalized alkyl-chain bis-tetrahydrofuranic acetogenins, specific inhibitors of mitochondrial complex I.

description: Small molecule binding data for protein Mitochondrial complex I; NADH oxidoreductase, Uniprot P25708 and P52505
DOI: 10.7270/q2g73fhm
title: BindingDB Entry 50037796: N,N'-Bisbenzylidenebenzene-1,4-diamines and N,N'-Bisbenzylidenenaphthalene-1,4-diamines as Sirtuin Type 2 (SIRT2) Inhibitors.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6
DOI: 10.7270/q2gf0vhh
title: BindingDB Entry 50039563: Discovery of loperamide as an antagonist of angiopoietin1 and angiopoietin2 by virtual screening.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot Q02763
DOI: 10.7270/q2gm881z
title: BindingDB Entry 50036878: Syntheses of 4'-C-ethynyl-beta-D-arabino- and 4'-C-ethynyl-2'-deoxy-beta-D-ribo-pentofuranosylpyrimidines and -purines and evaluation of their anti-HIV activity.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2hh6kn8
title: BindingDB Entry 50036005: Inhibitors of cholesterol biosynthesis. 6. trans-6-[2-(2-N-heteroaryl-3,5-disubstituted- pyrazol-4-yl)ethyl/ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-ones.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA), Uniprot P04035
DOI: 10.7270/q2hh6m05
title: BindingDB Entry 50038683: Discovery and biological evaluation of benzo[a]carbazole-based small molecule agonists of the thrombopoietin (Tpo) receptor.

description: Small molecule binding data for protein Thrombopoietin receptor, Uniprot P40238