cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2mk6cmz
title: BindingDB Entry 50020836: Discovery of potent and orally bioavailable heterocycle-based beta3-adrenergic receptor agonists, potential therapeutics for the treatment of obesity.

description: Small molecule binding data for protein Adrenergic receptor beta, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, P13945, and P26255
DOI: 10.7270/q2nc60q0
title: BindingDB Entry 50016509: Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series.

description: Small molecule binding data for protein Bradykinin B1 receptor, Uniprot P46663
DOI: 10.7270/q2qc036v
title: BindingDB Entry 50020875: Extensive SAR and computational studies of 3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2qn667k
title: BindingDB Entry 50014807: Potent S1P receptor agonists replicate the pharmacologic actions of the novel immune modulator FTY720.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, and Q99500
DOI: 10.7270/q2s1822v
title: BindingDB Entry 50016508: In vitro antiproliferative activity against human colon cancer cell lines of representative 4-thiazolidinones. Part I.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2sq901v
title: BindingDB Entry 50018200: Novel C-3 N-urea, amide, and carbamate dihydroindazolo[5,4-a]pyrrolo[3,4-c]carbazole analogs as potent TIE-2 and VEGF-R2 dual inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2 and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P35968 and Q02763
DOI: 10.7270/q2v40twb
title: BindingDB Entry 50020871: Synthesis and structure-activity relationship of RXR antagonists based on the diazepinylbenzoic acid structure.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q2vd6xwm
title: BindingDB Entry 50014802: Comparison of inhibitory activity of isomeric triazolopyridine derivatives towards adenosine receptor subtypes or do similar structures reveal similar bioactivities?

description: Small molecule binding data for protein Adenosine receptor A1 and Adenosine receptor A2a, Uniprot P29274 and P30542
DOI: 10.7270/q2ws8ssg
title: BindingDB Entry 50016507: A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Uniprot P10635
DOI: 10.7270/q2xg9qrs
title: BindingDB Entry 50018196: Synthesis and structural activity relationship of 11beta-HSD1 inhibitors with novel adamantane replacements.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2), 11-beta-hydroxysteroid dehydrogenase 1, and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845, P50172, P51661, and P80365
DOI: 10.7270/q2zs2w7w
title: BindingDB Entry 50020870: Synthesis and structure-activity relationship of novel RXR antagonists: orally active anti-diabetic and anti-obesity agents.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q20c4vc6
title: BindingDB Entry 50018250: Synthesis, calpain inhibitory activity, and cytotoxicity of P2-substituted proline and thiaproline peptidyl aldehydes and peptidyl alpha-ketoamides.

description: Small molecule binding data for protein Calpain-1 and Cathepsin (B and K), Uniprot P07858 and P35750
DOI: 10.7270/q22j6bks
title: BindingDB Entry 50020891: Design, synthesis, and biological activity of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one-based potent and selective Chk-1 inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 1, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), MAP kinase ERK2, MAP/microtubule affinity-regulating kinase 2, Macrophage colony stimulating factor receptor, PDGFR-beta/Platelet-derived growth factor receptor alpha, Protein kinase C delta type, Protein kinase C, gamma, Ribosomal protein S6 kinase alpha 1, Ribosomal protein S6 kinase alpha 3, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase Sgk1, Serine/threonine-protein kinase c-TAK1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and cAMP-dependent protein kinase (PKA), Uniprot L7RSL3, O00141, O14757, O14920, O96017, P00533, P05129, P06493, P07333, P09619, P10721, P11362, P12931, P16234, P17612, P17948, P22612, P22694, P27448, P28482, P31749, P35968, P36888, P49841, P51812, P53350, Q05655, Q15418, Q7KZI7, and Q96GD4
DOI: 10.7270/q22v2fkm
title: BindingDB Entry 50014819: New series of morpholine and 1,4-oxazepane derivatives as dopamine D4 receptor ligands: synthesis and 3D-QSAR model.

description: Small molecule binding data for protein Dopamine receptors; D2 & D4, Uniprot P21917
DOI: 10.7270/q23b5zn0
title: BindingDB Entry 50016540: Analysis of structure-activity relationships for the 'A-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as TRPV1 antagonists.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2416wqn
title: BindingDB Entry 50018247: Binding of sulfonyl-containing arylalkylamines at human 5-HT6 serotonin receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q25d8rjm
title: BindingDB Entry 50020921: Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists part 2: A hybrid strategy combining key fragments of HTS hits.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and GPR24, Uniprot P14416 and P35348
DOI: 10.7270/q2697382
title: BindingDB Entry 50020889: Discovery and optimization of p38 inhibitors via computer-assisted drug design.

description: Small molecule binding data for protein Mitogen-activated protein kinase 9 and SRC, Uniprot P07948 and P45984
DOI: 10.7270/q26m368w
title: BindingDB Entry 50014817: A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations.

description: Small molecule binding data for protein Collagenase and Stromelysin-1, Uniprot P08253 and P08254
DOI: 10.7270/q2736qfm
title: BindingDB Entry 50016536: Structure-based design and synthesis of novel non-zinc chelating MMP-12 inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P22894, P39900, and P45452
DOI: 10.7270/q27s7ndm
title: BindingDB Entry 50018241: Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q29c6www
title: BindingDB Entry 50014836: Design, synthesis, and structure-activity relationships of haloenol lactones: site-directed and isozyme-selective glutathione S-transferase inhibitors.

description: Small molecule binding data for protein Glutathione transferase (GST), Uniprot P09211 and V9HWE9
DOI: 10.7270/q2bc3z07
title: BindingDB Entry 50014816: Study on affinity profile toward native human and bovine adenosine receptors of a series of 1,8-naphthyridine derivatives.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A1, and Adenosine receptor A2a, Uniprot P28190, P29274, and P30542
DOI: 10.7270/q2bv7g51
title: BindingDB Entry 50016532: Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and Serotonin (5-HT) receptor, Uniprot P19327, P32305, and P34969
DOI: 10.7270/q2cj8d4b
title: BindingDB Entry 50018237: 1-aryl-3-(4-pyridine-2-ylpiperazin-1-yl)propan-1-one oximes as potent dopamine D4 receptor agonists for the treatment of erectile dysfunction.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Dopamine receptors; D2 & D4, Uniprot P14416 and P21917
DOI: 10.7270/q2dv1jkk
title: BindingDB Entry 50020915: Design, synthesis, and in vitro evaluation of carbamate derivatives of 2-benzoxazolyl- and 2-benzothiazolyl-(3-hydroxyphenyl)-methanones as novel fatty acid amide hydrolase inhibitors.

description: Small molecule binding data for protein Anandamide amidohydrolase, Uniprot P97612
DOI: 10.7270/q2f47nk5
title: BindingDB Entry 50014834: Meta-substituted aryl(thio)ethers as potent partial agonists (or antagonists) for the histamine H3 receptor lacking a nitrogen atom in the side chain.

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9QYN8
DOI: 10.7270/q2ft8kqd
title: BindingDB Entry 50020879: Identification and characterization of 3-substituted pyrazolyl esters as alternate substrates for cathepsin B: the confounding effects of DTT and cysteine in biological assays.

description: Small molecule binding data for protein Cathepsin (B and K), Uniprot P07858
DOI: 10.7270/q2gm86vw
title: BindingDB Entry 50016531: New HIV-1 replication inhibitors of the styryquinoline class bearing aroyl/acyl groups at the C-7 position: synthesis and biological activity.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2h994vn
title: BindingDB Entry 50018235: Low molecular weight activated protein C inhibitors as a potential treatment for hemophilic disorders.

description: Small molecule binding data for protein Prothrombin and Vitamin K-dependent protein C, Uniprot P00734 and P04070
DOI: 10.7270/q2jm29br
title: BindingDB Entry 50020910: New 2-arylpyrazolo[3,4-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. Synthesis, pharmacological evaluation, and ligand-receptor modeling studies.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, and P30542
DOI: 10.7270/q2jw8db1
title: BindingDB Entry 50014833: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Peroxisome proliferator-activated receptor delta (PPAR delta), and Peroxisome proliferator-activated receptor gamma, Uniprot P23204, P37231, P37238, Q03181, Q07869, and Q95N78
DOI: 10.7270/q2mc8zjs
title: BindingDB Entry 50016529: New pyrrolo[2,1-f]purine-2,4-dione and imidazo[2,1-f]purine-2,4-dione derivatives as potent and selective human A3 adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2n29wmf
title: BindingDB Entry 50018234: Synthesis and monoamine transporter affinity of 2beta-carbomethoxy-3beta-(4'-p-substituted phenyl)-piperidine analogs of cocaine.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2pc323x
title: BindingDB Entry 50020909: An integrated computational approach to the phenomenon of potent and selective inhibition of aurora kinases B and C by a series of 7-substituted indirubins.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase Aurora-C, Uniprot O14965, Q96GD4, and Q9UQB9
DOI: 10.7270/q2pn9536
title: BindingDB Entry 50014832: Conformationally constrained analogues of diacylglycerol. 21. A solid-phase method of synthesis of diacylglycerol lactones as a prelude to a combinatorial approach for the synthesis of protein kinase C isozyme-specific ligands.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2qv3m5k
title: BindingDB Entry 50018254: Replacement of the metabolically labile methyl esters in the alkenyldiarylmethane series of non-nucleoside reverse transcriptase inhibitors with isoxazolone, isoxazole, oxazolone, or cyano substituents.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2r49q8h
title: BindingDB Entry 50016525: The taming of capsaicin. Reversal of the vanilloid activity of N-acylvanillamines by aromatic iodination.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2rv0nbd
title: BindingDB Entry 50018233: Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine receptor (H3), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, Q12809, and Q9Y5N1
DOI: 10.7270/q2t43stv
title: BindingDB Entry 50020907: Identification of a novel class of selective Tpl2 kinase inhibitors: 4-Alkylamino-[1,7]naphthyridine-3-carbonitriles.

description: Small molecule binding data for protein Epidermal growth factor receptor and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00533 and P12931
DOI: 10.7270/q2td9wt4
title: BindingDB Entry 50014831: Synthesis and biological evaluation of 14-alkoxymorphinans. 21. Novel 4-alkoxy and 14-phenylpropoxy derivatives of the mu opioid receptor antagonist cyprodime.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P34975, P35372, P41143, and P41145
DOI: 10.7270/q2vt1rnn
title: BindingDB Entry 50016520: Identification of novel extracellular signal-regulated kinase docking domain inhibitors.

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2wm1d1p
title: BindingDB Entry 50018231: Application of azide-alkyne cycloaddition 'click chemistry' for the synthesis of Grb2 SH2 domain-binding macrocycles.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q2xw4jht
title: BindingDB Entry 50020906: Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2z60nhz
title: BindingDB Entry 50014828: Synthesis and structure-activity relationships of parasiticidal thiosemicarbazone cysteine protease inhibitors against Plasmodium falciparum, Trypanosoma brucei, and Trypanosoma cruzi.

description: Small molecule binding data for protein Cruzipain, Falcipain-2, and Rhodesain, Uniprot P25779
DOI: 10.7270/q2zk5g6j
title: BindingDB Entry 50016541: The characterization of a novel rigid nicotine analog with alpha7-selective nAChR agonist activity and modulation of agonist properties by boron inclusion.

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/q21n80vq
title: BindingDB Entry 50020923: C1'-cycloalkyl side chain pharmacophore in tetrahydrocannabinols.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272 and P47936
DOI: 10.7270/q21z43vj
title: BindingDB Entry 50014841: 3,4-Dihydroquinazoline derivatives as novel selective T-type Ca2+ channel blockers.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q22b8xkh
title: BindingDB Entry 50016551: Discovery of hydroxamic acid analogs as dual inhibitors of phosphodiesterase-1 and -5.

description: Small molecule binding data for protein Phosphodiesterase 1, Phosphodiesterase 3, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P54750, Q01064, Q13370, Q14123, and Q14432
DOI: 10.7270/q2348k00
title: BindingDB Entry 50018265: Chemical transformations of oxyresveratrol (trans-2,4,3',5'-tetrahydroxystilbene) into a potent tyrosinase inhibitor and a strong cytotoxic agent.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713 and P14679
DOI: 10.7270/q24f1qf7
title: BindingDB Entry 50020951: 3,3-diphenylpentane skeleton as a steroid skeleton substitute: novel inhibitors of human 5alpha-reductase 1.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1), Uniprot P18405
DOI: 10.7270/q24q7tfh
title: BindingDB Entry 50014858: Synthesis and biological activity of some known and putative duloxetine metabolites.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q25m656d
title: BindingDB Entry 50014839: 2-aminopyridines as highly selective inducible nitric oxide synthase inhibitors. Differential binding modes dependent on nitrogen substitution.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, inducible, and Nitric-oxide synthase (endothelial and brain), Uniprot P29475 and P35228
DOI: 10.7270/q2639p8s
title: BindingDB Entry 50016550: Design and syntheses of melanocortin subtype-4 receptor agonists. Part 2: discovery of the dihydropyridazinone motif.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q26t0m8s
title: BindingDB Entry 50018263: 4-Aminoquinoline melanin-concentrating hormone 1-receptor (MCH1R) antagonists.

description: Small molecule binding data for protein GPR145 and Melanin-concentrating hormone receptor, Uniprot Q969V1 and Q99705
DOI: 10.7270/q28c9vq2
title: BindingDB Entry 50014857: Design and synthesis of oxadiazolidinediones as inhibitors of plasminogen activator inhibitor-1.

description: Small molecule binding data for protein Tissue-type plasminogen activator, Uniprot P00750
DOI: 10.7270/q2930swm
title: BindingDB Entry 50020920: Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists Part 1. The discovery of arylacetamides as viable replacements for the dihydropyrimidinone moiety of an HTS hit.

description: Small molecule binding data for protein GPR24
DOI: 10.7270/q29w0f16
title: BindingDB Entry 50016549: 1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2bk1bzn
title: BindingDB Entry 50018261: Replacement of the N-terminal tyrosine residue in opioid peptides with 3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid (Dcp) results in novel opioid antagonists.

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/q2cv4hgn
title: BindingDB Entry 50020943: 5-(3-Cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile: A novel, highly potent, selective, and orally active non-steroidal progesterone receptor agonist.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, and Progesterone receptor, Uniprot P04150, P06401, and P10275
DOI: 10.7270/q2fn15rh
title: BindingDB Entry 50016548: Identification of potent type I MetAPs inhibitors by simple bioisosteric replacement. Part 2: SAR studies of 5-heteroalkyl substituted TCAT derivatives.

description: Small molecule binding data for protein Methionine Aminopeptidase (MAP) and Methionine aminopeptidase 1, Uniprot P0AE18 and Q01662
DOI: 10.7270/q2gb23pc
title: BindingDB Entry 50018258: Novel pyrazolopyrimidopyridazinones with potent and selective phosphodiesterase 5 (PDE5) inhibitory activity as potential agents for treatment of erectile dysfunction.

description: Small molecule binding data for protein Phosphodiesterase 6 and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O43924, O76074, P16499, P18545, P35913, P51160, and Q13956
DOI: 10.7270/q2hm585x
title: BindingDB Entry 50020941: Synthesis, in vitro assay, and molecular modeling of new piperidine derivatives having dual inhibitory potency against acetylcholinesterase and Abeta1-42 aggregation for Alzheimer's disease therapeutics.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P06276
DOI: 10.7270/q2hx1c3v
title: BindingDB Entry 50014854: Synthesis and SAR of bis-statine based peptides as BACE 1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2k35t8b
title: BindingDB Entry 50018271: Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2kd1xgv
title: BindingDB Entry 50016547: 1-Pentyl-3-phenylacetylindoles, a new class of cannabimimetic indoles.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272 and P34972
DOI: 10.7270/q2m32vdq
title: BindingDB Entry 50018257: Design and discovery of a novel dipeptidyl-peptidase IV (CD26)-based prodrug approach.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2nc60xp
title: BindingDB Entry 50020940: Selective reversible inhibition of human butyrylcholinesterase by aryl amide derivatives of phenothiazine.

description: Small molecule binding data for protein Cholinesterase, Uniprot P06276
DOI: 10.7270/q2np23vm
title: BindingDB Entry 50014851: 2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, and GABA receptor alpha-3/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P34903, and P47869