cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2h994bx
title: BindingDB Entry 50007510: Potent, selective, and orally bioavailable tricyclic pyridyl acetamide N-oxide inhibitors of farnesyl protein transferase with enhanced in vivo antitumor activity.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356
DOI: 10.7270/q2hm57gj
title: BindingDB Entry 50005022: Synthesis and evaluation of 6,7-dihydroxy-2,3,4,8,9,13b-hexahydro-1H- benzo[6,7]cyclohepta[1,2,3-ef][3]benzazepine, 6,7-dihydroxy- 1,2,3,4,8,12b-hexahydroanthr[10,4a,4-cd]azepine, and 10-(aminomethyl)-9,10- dihydro-1,2-dihydroxyanthracene as conformationally restricted analogs of beta-phenyldopamin

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q2j965j6
title: BindingDB Entry 50007485: Selective Pneumocystis carinii dihydrofolate reductase inhibitors: design, synthesis, and biological evaluation of new 2,4-diamino-5-substituted-furo[2,3-d]pyrimidines.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Dihydrofolate reductase (DHFR), Uniprot P16184, Q07422, and Q920D2
DOI: 10.7270/q2mc8z12
title: BindingDB Entry 50005032: New orally active serine protease inhibitors.

description: Small molecule binding data for protein Alpha-chymotrypsin, Cathepsin G, Kallikrein-1 (KLK1), Leukocyte elastase, Plasmin, Prothrombin, and Trypsin-1, Uniprot P00734, P00766, P06870, P07477, P08246, P08311, and Q01177
DOI: 10.7270/q2mg7ncg
title: BindingDB Entry 7933: Compounds

description: Small molecule binding data for protein PI3-kinase subunit delta, PI3-kinase subunit gamma, and Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α), Uniprot O00329, P27986, and P48736
DOI: 10.7270/q2n015g7
title: BindingDB Entry 50000099: Orally active, nonpeptide oxytocin antagonists.

description: Small molecule binding data for protein Oxytocin receptor and Vasopressin V2 Receptor, Uniprot P70536 and Q00788
DOI: 10.7270/q2n29w3q
title: BindingDB Entry 50007509: 1'-Benzyl-3,4-dihydrospiro[2H-1- benzothiopyran-2,4'-piperidine] (spipethiane), a potent and highly selective sigma1 ligand.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Muscarinic receptor M2 and M3, NMDA receptor subunit 2C (GluN2C), Prolylcarboxypeptidase (PRCP), and Sigma, Uniprot A0A024R5L0, P08483, P10980, P15823, P42785, P43140, P61169, Q00961, and Q99720
DOI: 10.7270/q2n878t0
title: BindingDB Entry 50005019: N-alkylated nitrogen-in-the-ring sugars: conformational basis of inhibition of glycosidases and HIV-1 replication.

description: Small molecule binding data for protein Alpha-mannosidase 2C1, Lactase-glycosylceramidase, Maltase-glucoamylase, Mannosidase 2 alpha 1, Mannosidase 2, alpha B1, Trehalase, and alpha-Glucosidase (α-Glucosidase), Uniprot O43451, P21139, P23739, P28494, and Q02401
DOI: 10.7270/q2r78d2r
title: BindingDB Entry 7932: Aminopyrimidine derivatives for use as modulators of kinase activity

description: Small molecule binding data for protein Ribosomal protein S6 kinase (P70S6K), Uniprot P23443
DOI: 10.7270/q2rr1x68
title: BindingDB Entry 50000095: 3-Phenyl-4-hydroxyquinolin-2(1H)-ones: potent and selective antagonists at the strychnine-insensitive glycine site on the N-methyl-D-aspartate receptor complex.

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q2rv0mt8
title: BindingDB Entry 50007505: Clarification of the binding mode of teleocidin and benzolactams to the Cys2 domain of protein kinase Cdelta by synthesis of hydrophobically modified, teleocidin-mimicking benzolactams and computational docking simulation.

description: Small molecule binding data for protein Protein kinase C delta type, Uniprot Q05655
DOI: 10.7270/q2s181h8
title: BindingDB Entry 50005014: Conformationally defined 6-s-trans-retinoic acid analogs. 2. Selective agonists for nuclear receptor binding and transcriptional activity.

description: Small molecule binding data for protein Cellular retinoic acid-binding protein I, Cellular retinoic acid-binding protein II, RXR alpha/PPAR gamma, Retinoic acid receptor alpha, Retinoic acid receptor beta, Retinoic acid receptor gamma, Retinoid X receptor alpha, Retinoid X receptor beta, and Retinoid X receptor gamma, Uniprot P11416, P18911, P19793, P22605, P22935, P28700, P28704, P28705, P40220, and P62965
DOI: 10.7270/q2w094s2
title: BindingDB Entry 7931: Azole compounds as PIM inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM and Serine/threonine-protein kinase pim-1, Uniprot P11309, Q86V86, and Q9P1W9
DOI: 10.7270/q2wh2nz1
title: BindingDB Entry 50000088: Omega-[(omega-arylalkyl)thienyl]alkanoic acids: from specific LTA4 hydrolase inhibitors to LTB4 receptor antagonists.

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q2wh2p4p
title: BindingDB Entry 50007502: Development of a three-dimensional CysLT1 (LTD4) antagonist model with an incorporated amino acid residue from the receptor.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q2ws8s8r
title: BindingDB Entry 50005008: Probing the hydrophobic pocket of the active site of aromatase with 4-phenoxy-7 alpha-(phenylthio)-4-androstene-3,17-dione.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q20864f4
title: BindingDB Entry 50007521: Conformationally defined retinoic acid analogues. 4. Potential new agents for acute promyelocytic and juvenile myelomonocytic leukemias.

description: Small molecule binding data for protein Retinoic acid receptor alpha, Retinoic acid receptor beta, Retinoic acid receptor gamma, Retinoid X receptor alpha, and Retinoid X receptor gamma, Uniprot P11416, P18911, P22605, P28700, and P28705
DOI: 10.7270/q22j69q5
title: BindingDB Entry 7945: Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2319tt0
title: BindingDB Entry 50000136: Synthesis, cardiac electrophysiology, and beta-blocking activity of novel arylpiperazines with potential as class II/III antiarrhythmic agents.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot P08588 and P54833
DOI: 10.7270/q23b5z5q
title: BindingDB Entry 50005053: Novel angiotensin II receptor antagonists. Design, synthesis, and in vitro evaluation of dibenzo[a,d]cycloheptene and dibenzo[b,f]oxepin derivatives. Searching for bioisosteres of biphenylyltetrazole using a three-dimensional search technique.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P30556
DOI: 10.7270/q2416w5g
title: BindingDB Entry 50007515: Synthesis and adrenergic activity of a new series of N-aryl dicyclopropyl ketone oxime ethers: SAR and stereochemical aspects.

description: Small molecule binding data for protein Adrenergic receptor beta and Beta-2 adrenergic receptor, Uniprot P18090 and P54833
DOI: 10.7270/q26972fw
title: BindingDB Entry 7944: Identification of inhibitors that target dual-specificity phosphatase 5 provide new insights into the binding requirements for the two phosphate pockets.

description: Small molecule binding data for protein Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)
DOI: 10.7270/q26t0kkd
title: BindingDB Entry 50000132: Preparation and opioid activity of analogues of the analgesic dipeptide 2,6-dimethyl-L-tyrosyl-N-(3-phenylpropyl)-D-alaninamide.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q2736pxg
title: BindingDB Entry 50005043: 2,4-Diaminopyrido[3,2-d]pyrimidine inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Dihydrofolate reductase (DHFR), Uniprot P16184, Q07422, and Q920D2
DOI: 10.7270/q27s7mq7
title: BindingDB Entry 50000105: Delta opioid antagonist activity and binding studies of regioisomeric isothiocyanate derivatives of naltrindole: evidence for delta receptor subtypes.

description: Small molecule binding data for protein Opioid receptors; mu & delta, Uniprot P33533
DOI: 10.7270/q27s7mwg
title: BindingDB Entry 50007513: Cyclopropane-derived peptidomimetics. Design, synthesis, evaluation, and structure of novel HIV-1 protease inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2b27t57
title: BindingDB Entry 7943: Delineation of the Pasteurellaceae-specific GbpA-family of glutathione-binding proteins.

description: Small molecule binding data for protein Glutathione-binding protein (GbpAAp), Glutathione-binding protein (GbpAHp), and Glutathione-binding protein (GbpAPm)
DOI: 10.7270/q2bk1b8p
title: BindingDB Entry 50000129: Selective, centrally acting serotonin 5-HT2 antagonists. 2. Substituted 3-(4-fluorophenyl)-1H-indoles.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P43140 and P61169
DOI: 10.7270/q2bk1bfx
title: BindingDB Entry 50007531: Macrocyclic amino carboxylates as selective MMP-8 inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, and P22894
DOI: 10.7270/q2bv7fnw
title: BindingDB Entry 50005041: 1,1-Bisphosphonate squalene synthase inhibitors: interplay between the isoprenoid subunit and the diphosphate surrogate.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2cj8cm6
title: BindingDB Entry 50007511: 5-(5,6-Dichloro-2-indolyl)-2-methoxy-2,4-pentadienamides: novel and selective inhibitors of the vacuolar H+-ATPase of osteoclasts with bone antiresorptive activity.

description: Small molecule binding data for protein Vacuolar ATP synthase subunit B, kidney isoform, Vacuolar ATP synthase subunit S1, and Vacuolar H(+)-transporting ATPase 116 kDa subunit, a1 isoform, Uniprot P15313, Q15904, and Q9I8D0
DOI: 10.7270/q2ft8jw7
title: BindingDB Entry 7942: Apoptosis signal-regulating kinase inhibitor

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1A1, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P04798, P05177, P08684, P10632, P10635, P11712, P20813, and P33261
DOI: 10.7270/q2g73cnk
title: BindingDB Entry 50000128: Selective, centrally acting serotonin 5-HT2 antagonists. 1. 2- and 6-substituted 1-phenyl-3-(4-piperidinyl)-1H-indoles.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P43140 and P61169
DOI: 10.7270/q2gb235n
title: BindingDB Entry 50007530: Design and synthesis of cyclic inhibitors of matrix metalloproteinases and TNF-alpha production.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08254, and P14780
DOI: 10.7270/q2gm86b5
title: BindingDB Entry 50005039: Inhibition of matrix metalloproteinases by hydroxamates containing heteroatom-based modifications of the P1' group.

description: Small molecule binding data for protein Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08254, and P22894
DOI: 10.7270/q2kh0m66
title: BindingDB Entry 7941: BACE inhibitors

description: Small molecule binding data for protein Beta-secretase 1 (BACE1)
DOI: 10.7270/q2m044bv
title: BindingDB Entry 50000124: Para-substituted Phe3 deltorphin analogues: enhanced selectivity of halogenated derivatives for delta opioid receptor sites.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2m32twk
title: BindingDB Entry 50007529: Potent antagonists of the SH2 domain of Grb2: optimization of the X+1 position of 3-amino-Z-Tyr(PO3H2)-X+1-Asn-NH2.

description: Small molecule binding data for protein Grb2-SH2, Protein tyrosine phosphatase SHP-2 (SHP-2), SRC, and Src homology 2 domain containing transforming protein C2, Uniprot P06239, P62993, P98077, and Q06124
DOI: 10.7270/q2q81bxh
title: BindingDB Entry 7940: Rotenone derivatives and a use thereof

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P00591
DOI: 10.7270/q2qr4w2w
title: BindingDB Entry 50000114: omega-[(4,6-Diphenyl-2-pyridyl)oxy]alkanoic acid derivatives: a new family of potent and orally active LTB4 antagonists.

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q2qv3knf
title: BindingDB Entry 50007527: Novel thieno[2,3-d][1,3]oxazin-4-ones as inhibitors of human leukocyte elastase.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2r210dw
title: BindingDB Entry 50005031: Synthesis, resolution, and biological evaluation of the four stereoisomers of 4-methylglutamic acid: selective probes of kainate receptors.

description: Small molecule binding data for protein Glutamate receptor 1 (GluA1) and NMDA receptor subunit 2C (GluN2C), Uniprot P19490 and Q00961
DOI: 10.7270/q2t152hv
title: BindingDB Entry 7947: Synthesis and biological evaluation of benzimidazole derivatives as the G9a Histone Methyltransferase inhibitors that induce autophagy and apoptosis of breast cancer cells.

description: Small molecule binding data for protein Protein G9a (G9a), Uniprot Q96KQ7
DOI: 10.7270/q2tt4q0j
title: BindingDB Entry 50005055: Reversible inhibitors of the gastric (H+/K+)-ATPase. 5. Substituted 2,4-diaminoquinazolines and thienopyrimidines.

description: Small molecule binding data for protein Potassium-transporting ATPase, Uniprot P18434 and P19156
DOI: 10.7270/q2v123ms
title: BindingDB Entry 7939: 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders

description: Small molecule binding data for protein Phosphodiesterase 9A (PDE9A2)
DOI: 10.7270/q2vh5ms6
title: BindingDB Entry 50000113: omega-[(4-Phenyl-2-quinolyl)oxy]alkanoic acid derivatives: a new family of potent LTB4 antagonists.

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q2vm4bc5
title: BindingDB Entry 50007523: Inhibition of human alcohol dehydrogenases by formamides.

description: Small molecule binding data for protein Alcohol dehydrogenase, Uniprot P00325, P00326, P07327, P08319, and P40394
DOI: 10.7270/q2vt1r3g
title: BindingDB Entry 50005029: (Piperidinylalkoxy)chromones: novel antihistamines with additional antagonistic activity against leukotriene D4.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1 and Histamine H1 receptor, Uniprot P31389 and Q2NNR5
DOI: 10.7270/q2zk5fpd
title: BindingDB Entry 50005054: Reversible inhibitors of the gastric (H+/K+)-ATPase. 4. Identification of an inhibitor with an intermediate duration of action.

description: Small molecule binding data for protein Potassium-transporting ATPase, Uniprot P18434 and P19156
DOI: 10.7270/q2zs2vbt
title: BindingDB Entry 7938: Nitrogen-containing bicyclic aromatic heterocyclic compound

description: Small molecule binding data for protein Cathepsin S, Uniprot O70370 and P25774
DOI: 10.7270/q21j98m7
title: BindingDB Entry 7953: CSAR CDK2 Kinase

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q2222sqm
title: BindingDB Entry 50000176: Synthesis and substance P antagonist activity of naphthimidazolium derivatives.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P14600
DOI: 10.7270/q22b8x2s
title: BindingDB Entry 50005078: Flexible 1-[(2-aminoethoxy)alkyl]-3-ar(o)yl(thio)ureas as novel acetylcholinesterase inhibitors. Synthesis and biochemical evaluation.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q2319v0n
title: BindingDB Entry 50007533: 32-Ascomycinyloxyacetic acid derived immunosuppressants. Independence of immunophilin binding and immunosuppressive potency.

description: Small molecule binding data for protein Mammalian target of Rapamycin (mTORC1), Uniprot P62942
DOI: 10.7270/q25b01bh
title: BindingDB Entry 7952: CSAR CDK2-CyclinA

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q25t3jf1
title: BindingDB Entry 50000174: Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor and Myeloperoxidase (MPO), Uniprot P05164 and Q9Y271
DOI: 10.7270/q25t3jm8
title: BindingDB Entry 50007563: Selective inhibitors of monoamine oxidase (MAO). 5. 1-Substituted phenoxathiin inhibitors containing no nitrogen that inhibit MAO A by binding it to a hydrophobic site.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2639nrn
title: BindingDB Entry 50005074: Balanced AT1/AT2 receptor antagonists. 4. XR510 and related 5-(3-amidopropanoyl)imidazoles possessing equal affinity for the AT1 and AT2 receptors.

description: Small molecule binding data for protein Angiotensin II AT2, Uniprot P35351
DOI: 10.7270/q26t0kq6
title: BindingDB Entry 50007532: Development of a binding model to protein tyrosine kinases for substituted pyrido[2,3-d]pyrimidine inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, PDGFR-beta/Platelet-derived growth factor receptor alpha, and Src, Uniprot P00523, P00533, P05622, and P26618
DOI: 10.7270/q28w3c9s
title: BindingDB Entry 50005094: Synthesis and dopaminergic activity of pyridine analogs of 5-hydroxy-2-(di-n-propylamino)tetralin.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2930s2v
title: BindingDB Entry 7951: Rational design, synthesis, pharmacophore modeling, and docking studies for identification of novel potent DNA-PK inhibitors

description: Small molecule binding data for protein DNA-dependent protein kinase, Uniprot P78527
DOI: 10.7270/q29k4966
title: BindingDB Entry 50000171: Structure-activity relationships associated with 3,4,5-triphenyl-1H-pyrazole-1-nonanoic acid, a nonprostanoid prostacyclin mimetic.

description: Small molecule binding data for protein Prostanoid IP receptor, Uniprot P43119
DOI: 10.7270/q29k49b0
title: BindingDB Entry 50007555: Cyclic HIV protease inhibitors: design and synthesis of orally bioavailable, pyrazole P2/P2' cyclic ureas with improved potency.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q29w0dh2
title: BindingDB Entry 50005065: Synthesis, structure elucidation, and biochemical evaluation of 7 alpha- and 7 beta-arylaliphatic-substituted androst-4-ene-3,17-diones as inhibitors of aromatase.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2dv1hsv
title: BindingDB Entry 7950: Discovery of 3,3-di(indolyl)indolin-2-one as a novel scaffold for α-glucosidase inhibitors: In silico studies and SAR predictions

description: Small molecule binding data for protein alpha-Glucosidase (alpha-Glu), Uniprot P38158
DOI: 10.7270/q2fb51w2
title: BindingDB Entry 50000160: Effect of modification of the basic residues of dynorphin A-(1-13) amide on kappa opioid receptor selectivity and opioid activity.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q2fb522q
title: BindingDB Entry 50007554: Novel benzothiazolin-2-one and benzoxazin-3-one arylpiperazine derivatives with mixed 5HT1A/D2 affinity as potential atypical antipsychotics.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Cerebral cortex alpha adrenergic receptor, DRD2, Serotonin 1B/1D receptor, and Serotonin 2a (5-HT2a) receptor, Uniprot P08908, P18130, P20288, P28335, P28564, and Q75Z89
DOI: 10.7270/q2fn157s
title: BindingDB Entry 50005063: Synthesis and structure-activity relationships of stilbene retinoid analogs substituted with heteroaromatic carboxylic acids.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Retinoid X receptor gamma/retinoic acid receptor alpha, and Retinoid receptor, Uniprot P10276, P10826, P13631, and P19793
DOI: 10.7270/q2jm28hk
title: BindingDB Entry 7949: Novel multi-targeted agents for Alzheimer's disease: Synthesis, biological evaluation, and molecular modeling of novel 2-[4-(4-substitutedpiperazin-1-yl)phenyl]benzimidazoles

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P22303 and Q9N1N9
DOI: 10.7270/q2k0736g
title: BindingDB Entry 50000158: Synthesis and dopaminergic activity of some 3-(1,2,3,6-tetrahydro-1-pyridylalkyl)indoles. A novel conformational model to explain structure-activity relationships.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2k35ssn
title: BindingDB Entry 50007552: Investigation of the N-substituent conformation governing potency and mu receptor subtype-selectivity in (+)-(3R, 4R)-dimethyl-4-(3-hydroxyphenyl)piperidine opioid antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P41143, P41144, and P97266
DOI: 10.7270/q2kd1wzq
title: BindingDB Entry 50005062: Structure-activity relationships of the potent combined endothelin-A/endothelin-B receptor antagonist Ac-DDip16-Leu-Asp-Ile-Ile-Trp21: development of endothelin-B receptor selective antagonists.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P21451, P24530, and P25101
DOI: 10.7270/q2nc602g
title: BindingDB Entry 7956: Sacchettini GlcB

description: Small molecule binding data for protein GlcB
DOI: 10.7270/q2p55mj2
title: BindingDB Entry 50005087: Diamine and triamine analogs and derivatives as inhibitors of deoxyhypusine synthase: synthesis and biological activity.

description: Small molecule binding data for protein Deoxyhypusine synthase, Uniprot Q6AY53
DOI: 10.7270/q2pc3179
title: BindingDB Entry 7948: Design, synthesis and biological activity of 3-oxoamino-benzenesulfonamides as selective and reversible LSD1 inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2pr7twn
title: BindingDB Entry 50000154: Disodium (R,R)-5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-amino] propyl]-1,3-benzodioxole-2,2-dicarboxylate (CL 316,243). A potent beta-adrenergic agonist virtually specific for beta 3 receptors. A promising antidiabetic and antiobesity agent.

description: Small molecule binding data for protein Adrenergic receptor beta and Beta-2 adrenergic receptor, Uniprot P10608, P18090, P26255, and P54833