cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pk0fwq
title: BindingDB Entry 50023333: Anthraquinones and betaenone derivatives from the sponge-associated fungus Microsphaeropsis species: novel inhibitors of protein kinases.

description: Small molecule binding data for protein Cyclin-dependent kinase 4, Epidermal growth factor receptor, and Protein kinase C epsilon, Uniprot P00533, P11802, and P16054
DOI: 10.7270/q2q52pg5
title: BindingDB Entry 50027135: N-Propylnoraporphin-11-O-yl carboxylic esters as potent dopamine D(2) and serotonin 5-HT(1A) receptor dual ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine D1 and D2 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin (5-HT) receptor, Uniprot P14416, P19327, P21728, and P28223
DOI: 10.7270/q2q81cnb
title: BindingDB Entry 50017243: Asymmetric synthesis of the L-fuco-nojirimycin, a nanomolar alpha-L-fucosidase inhibitor.

description: Small molecule binding data for protein Alpha-L-fucosidase 1, Uniprot Q2KIM0
DOI: 10.7270/q2r49qfr
title: BindingDB Entry 50019517: Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors.

description: Small molecule binding data for protein Dual specificity protein phosphatase VHX (VHX), Uniprot Q9NRW4
DOI: 10.7270/q2t72h64
title: BindingDB Entry 50023328: Polyoxygenated dysidea sterols that inhibit the binding of [I125] IL-8 to the human recombinant IL-8 receptor type A.

description: Small molecule binding data for protein Chemokine receptor type 1 (CXCR1), Uniprot P25024
DOI: 10.7270/q2tx3f2s
title: BindingDB Entry 50019539: Novel naphthyridines are histamine H3 antagonists and serotonin reuptake transporter inhibitors.

description: Small molecule binding data for protein Histamine receptor (H3), Serotonin and norepinephrine transporters (SERT/NET), and Sodium-dependent serotonin transporter, Uniprot P31645, P31652, and Q9Y5N1
DOI: 10.7270/q2tx3f71
title: BindingDB Entry 50027134: Structure-activity relationships of compounds targeting mycobacterium tuberculosis 1-deoxy-D-xylulose 5-phosphate synthase.

description: Small molecule binding data for protein 1-deoxy-D-xylulose-5-phosphate synthase and Transketolase, Uniprot P29401, P9WNS3, and V9HWD9
DOI: 10.7270/q2v124bm
title: BindingDB Entry 50017242: New benzimidazoles as thrombopoietin receptor agonists.

description: Small molecule binding data for protein Thrombopoietin receptor, Uniprot P40238
DOI: 10.7270/q2vx0g65
title: BindingDB Entry 50019501: 2,6,8-trisubstituted 1-deazapurines as 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/q2z037w0
title: BindingDB Entry 50023305: Halogenated boldine derivatives with enhanced monoamine receptor selectivity.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q2zp45tj
title: BindingDB Entry 50019537: Novel 3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide as promising lead for design of alpha5-inverse agonist useful tools for therapy of mnemonic damage.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit and GABA receptor alpha-3/beta-2/gamma-2 subunit, Uniprot P18508, P20236, P62813, and P63138
DOI: 10.7270/q2zp45zb
title: BindingDB Entry 50027132: Optimization of small molecule agonists of the thrombopoietin (Tpo) receptor derived from a benzo[a]carbazole hit scaffold.

description: Small molecule binding data for protein Thrombopoietin receptor, Uniprot P40238
DOI: 10.7270/q2zs2w2n
title: BindingDB Entry 50017241: Synthesis of Tic-D-Phe Psi[CH2-CH2] isostere and its use in the development of melanocortin receptor agonists.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P41968, and Q01726
DOI: 10.7270/q21g0m3j
title: BindingDB Entry 50027188: Docking study, synthesis, and in vitro evaluation of fluoro-MADAM derivatives as SERT ligands for PET imaging.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P31652, and Q01959
DOI: 10.7270/q21j99b2
title: BindingDB Entry 50017264: Discovery and optimization of a novel series of liver X receptor-alpha agonists.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot Q13133
DOI: 10.7270/q21r6q7m
title: BindingDB Entry 50023402: 8-O-Methylsclerotiorinamine, antagonist of the Grb2-SH2 domain, isolated from Penicillium multicolor.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q22f7n41
title: BindingDB Entry 50019574: Dicarba analogues of the cyclic enkephalin peptides H-Tyr-c[D-Cys-Gly-Phe-D(or L)-Cys]NH(2) retain high opioid activity.

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 P32300, P33533, P33535, P41144, and P97266
DOI: 10.7270/q22f7n8t
title: BindingDB Entry 50027162: Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845
DOI: 10.7270/q22j6bdj
title: BindingDB Entry 50017252: Indole-glucosides as novel sodium glucose co-transporter 2 (SGLT2) inhibitors. Part 2.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q25h7g0s
title: BindingDB Entry 50023368: Workup-dependent formation of 5-lipoxygenase inhibitory boswellic acid analogues.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2639pkt
title: BindingDB Entry 50027160: Bisphosphonate inhibitors of ATP-mediated HIV-1 reverse transcriptase catalyzed excision of chain-terminating 3'-azido, 3'-deoxythymidine: a QSAR investigation.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2668cws
title: BindingDB Entry 50019571: Synthesis and biological evaluation of selective aromatase expression regulators in breast cancer cells.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2930srt
title: BindingDB Entry 50017261: Design and synthesis of potent and subtype-selective PPARalpha agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q29z94kr
title: BindingDB Entry 50019566: CCR5 receptor antagonists: discovery and SAR of novel 4-hydroxypiperidine derivatives.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2d21xch
title: BindingDB Entry 50023522: Microxine, a new cdc2 kinase inhibitor from the Australian marine sponge Microxina species.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Uniprot P06493
DOI: 10.7270/q2dn44wq
title: BindingDB Entry 50027178: Discovery of pyrimidine benzimidazoles as Lck inhibitors: part I.

description: Small molecule binding data for protein Insulin receptor, SRC, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P06213, P06239, P07948, P12931, and P35968
DOI: 10.7270/q2dv1jg7
title: BindingDB Entry 50017259: CDK2/cyclinA inhibitors: targeting the cyclinA recruitment site with small molecules derived from peptide leads.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1, Uniprot P20248, P24941, and P78396
DOI: 10.7270/q2fn15w9
title: BindingDB Entry 50019565: Novel selective human melanocortin-3 receptor ligands: use of the 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one (Aba) scaffold.

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/q2fn161h
title: BindingDB Entry 50027137: Design, synthesis, and evaluation of potent and selective ligands for the dopamine 3 (D3) receptor with a novel in vivo behavioral profile.

description: Small molecule binding data for protein DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Dopamine receptor, Uniprot P18901, P19020, and P61169
DOI: 10.7270/q2ht2p3x
title: BindingDB Entry 50023493: Cheilanthane sesterterpenes, protein kinase inhibitors, from a marine sponge of the genus Ircinia.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 2 and Ribosomal protein S6 kinase alpha 5, Uniprot O75582 and P49137
DOI: 10.7270/q2jd4wm2
title: BindingDB Entry 50027176: Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), ADAM17, ADAMTS1, Angiotensin-converting enzyme, Bone morphogenetic protein 1, Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Disintegrin and metalloproteinase domain-containing protein 33, Disintegrin and metalloproteinase domain-containing protein 8, Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9), Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 10, Matrix metalloproteinase 11, Matrix metalloproteinase 15, Matrix metalloproteinase 16, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), Neprilysin, and Stromelysin-1, Uniprot O14672, O75173, O77636, P03956, P08253, P08254, P08473, P09237, P09238, P12821, P13497, P14780, P22894, P24347, P39900, P45452, P50281, P51511, P51512, P78325, P78536, Q13443, Q9BZ11, Q9UHI8, and Q9UNA0
DOI: 10.7270/q2jm296z
title: BindingDB Entry 50017257: Novel lactam NK1 antagonists with anti-emetic activity.

description: Small molecule binding data for protein Neurokinin 1 receptor and Voltage-gated potassium channel, Uniprot P25103 and Q12809
DOI: 10.7270/q2kd1xk6
title: BindingDB Entry 50019562: Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2nk3dt7
title: BindingDB Entry 50023488: Two new stilbene dimer glucosides from grape (Vitis vinifera) cell cultures.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2p55n5j
title: BindingDB Entry 50019594: Synthesis and biological activity of oxytocin analogues containing conformationally-restricted residues in position 7.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559 and P70536
DOI: 10.7270/q2p55nbs
title: BindingDB Entry 50027168: Molecular design to enhance the penetration into the retina via ocular instillation.

description: Small molecule binding data for protein Calpain 2 and Calpain1/2, Uniprot P07384 and P43367
DOI: 10.7270/q2p84bgh
title: BindingDB Entry 50017255: Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2q52p9x
title: BindingDB Entry 50019541: Novel malonamide derivatives as potent kappa opioid receptor agonists.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6) and Kappa-type opioid receptor, Uniprot P10635 and P41145
DOI: 10.7270/q2sb45hh
title: BindingDB Entry 50023457: Three new arylobenzofurans from Onobrychis ebenoides and evaluation of their binding affinity for the estrogen receptor.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2sx6d26
title: BindingDB Entry 50027166: Discovery and optimization of substituted piperidines as potent, selective, CNS-penetrant alpha4beta2 nicotinic acetylcholine receptor potentiators.

description: Small molecule binding data for protein Cholinergic, Nicotinic Alpha3Beta2, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-7 subunit, and Neuronal acetylcholine receptor subunit alpha-4, Uniprot P09483, P32297, P36544, and P43681
DOI: 10.7270/q2t15367
title: BindingDB Entry 50017254: Novel dual inhibitors of calpain and lipid peroxidation with enhanced cellular activity.

description: Small molecule binding data for protein Calpain 1/small subunit 1, Uniprot P04632 and P07384
DOI: 10.7270/q2x066s2
title: BindingDB Entry 50023407: A new 7,8-euphadien-type triterpenoid from Brackenridgea nitida and Bleasdalea bleasdalei that inhibits DNA polymerase beta.

description: Small molecule binding data for protein DNA polymerase beta, Uniprot P06766
DOI: 10.7270/q2xp74m8
title: BindingDB Entry 50019588: Discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a selective, orally active agonist of the 5-HT(2C) receptor.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Cytochrome P450 3A, and Serotonin receptor (2b and 2c), Uniprot P08684, P28223, P28335, and P41595
DOI: 10.7270/q2xp74sh
title: BindingDB Entry 50027163: Peptidyl epoxides extended in the P' direction as cysteine protease inhibitors: effect on affinity and mechanism of inhibition.

description: Small molecule binding data for protein Cathepsin (B and K) and Papain, Uniprot P00784 and P07858
DOI: 10.7270/q2xs5txv
title: BindingDB Entry 50017253: Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels.

description: Small molecule binding data for protein Voltage-gated calcium channel alpha2/delta subunit 1, Uniprot O08532
DOI: 10.7270/q20k285s
title: BindingDB Entry 50017280: Matrix metalloproteinase target family landscape: a chemometrical approach to ligand selectivity based on protein binding site analysis.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 11, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P14780, P22894, P24347, P45452, and P50281
DOI: 10.7270/q20r9p54
title: BindingDB Entry 50023575: Steroidal alkaloids from the leaves of Sarcococca coriacea of Nepalese origin.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q21g0kxw
title: BindingDB Entry 50019609: Optimization of halopemide for phospholipase D2 inhibition.

description: Small molecule binding data for protein Phospholipase D2 (PLD2), Uniprot O14939
DOI: 10.7270/q24749qx
title: BindingDB Entry 50027213: Structural modifications of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinehexanamides: influence on lipophilicity and 5-HT7 receptor activity. Part III.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine receptor D2L/neurotensin receptor NTS1, HTR7, and Serotonin (5-HT) receptor, Uniprot P08908, P14416, P32305, and P50407
DOI: 10.7270/q24b30w3
title: BindingDB Entry 50017278: Isothiazolopyridones: synthesis, structure, and biological activity of a new class of antibacterial agents.

description: Small molecule binding data for protein DNA Gyrase and Topoisomerase IV subunit A, Uniprot P0AES4, P0AES6, and P0C1U9
DOI: 10.7270/q24j0dvj
title: BindingDB Entry 50023563: Cox-2 inhibitory effects of naturally occurring and modified fatty acids.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot O62664 and P79208
DOI: 10.7270/q2571bp2
title: BindingDB Entry 50019608: Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R).

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2571btv
title: BindingDB Entry 50027183: Novel design principle validated: glucopyranosylidene-spiro-oxathiazole as new nanomolar inhibitor of glycogen phosphorylase, potential antidiabetic agent.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q25b022b
title: BindingDB Entry 50017263: Imidazo[1,2-a]pyrazin-8-ones, imidazo[1,2-d][1,2,4]triazin-8-ones and imidazo[2,1-f][1,2,4]triazin-8-ones as alpha2/alpha3 subtype selective GABA A agonists for the treatment of anxiety.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, and P34903
DOI: 10.7270/q27944fw
title: BindingDB Entry 50023687: A new dimeric stilbene with tyrosinase inhibitiory activity from Artocarpus gomezianus.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q28052fn
title: BindingDB Entry 50027211: Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta) and Pregnane X receptor (PXR), Uniprot O75469, P55055, and Q13133
DOI: 10.7270/q2833rmf
title: BindingDB Entry 50017271: Structural modifications of the cannabinoid side chain towards C3-aryl and 1',1'-cycloalkyl-1'-cyano cannabinoids.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272 and P47936
DOI: 10.7270/q28915mq
title: BindingDB Entry 50023540: New sesquiterpene derivatives from the sponge Dysidea species with a selective inhibitor profile against human phospholipase A2 and other leukocyte functions.

description: Small molecule binding data for protein Phospholipase A2 (Bee), Phospholipase A2, major isoenzyme, and Phospholipase A2, membrane associated, Uniprot P00592, P00630, and P14555
DOI: 10.7270/q28w3d5d
title: BindingDB Entry 50027179: Tricyclic azepine derivatives as selective brain penetrant 5-HT6 receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q29023gp
title: BindingDB Entry 50019602: [(S)-gamma-(4-Aryl-1-piperazinyl)-l-prolyl]thiazolidines as a novel series of highly potent and long-lasting DPP-IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase IV, Uniprot P14740 and P27487
DOI: 10.7270/q2c24w57
title: BindingDB Entry 50023670: Antimalarial (+)-trans-hexahydrodibenzopyran derivatives from Machaerium multiflorum.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P21554
DOI: 10.7270/q2cn73rb
title: BindingDB Entry 50027202: Binding is not enough: flexibility is needed for photocrosslinking of Lck kinase by benzophenone photoligands.

description: Small molecule binding data for protein SRC, Uniprot P06239
DOI: 10.7270/q2cv4hbv
title: BindingDB Entry 50017270: Identification of a novel series of tetrahydrodibenzazocines as inhibitors of 17beta-hydroxysteroid dehydrogenase type 3.

description: Small molecule binding data for protein 17-beta-hydroxysteroid dehydrogenase type 3, Uniprot P37058
DOI: 10.7270/q2dr2v58
title: BindingDB Entry 50019596: Relationship between quantum-chemical descriptors of proton dissociation and experimental acidity constants of various hydroxylated coumarins. Identification of the biologically active species for xanthine oxidase inhibition.

description: Small molecule binding data for protein Xanthine oxidase, Uniprot P47989
DOI: 10.7270/q2gt5mxp
title: BindingDB Entry 50023666: Inhibition of leukocyte functions by the alkaloid isaindigotone from Isatis indigotica and some new synthetic derivatives.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2hd7vgp
title: BindingDB Entry 50027201: Identification of novel protein kinase CK1 delta (CK1delta) inhibitors through structure-based virtual screening.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Casein kinase I, Casein kinase I isoform alpha (CK1 Alpha), Casein kinase I isoform delta, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Homeodomain-interacting protein kinase 2 (HIPK2), SRC, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase CSK, and Tyrosine-protein kinase SYK, Uniprot P07948, P09769, P11309, P41240, P43405, P48729, P48730, Q13627, Q9H2X6, Q9HCP0, and Q9UM73
DOI: 10.7270/q2hm582k
title: BindingDB Entry 50017269: 8-Fluoroimidazo[1,2-a]pyridine: synthesis, physicochemical properties and evaluation as a bioisosteric replacement for imidazo[1,2-a]pyrimidine in an allosteric modulator ligand of the GABA A receptor.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit and GABA receptor alpha-3/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, and P34903
DOI: 10.7270/q2jd4wg8
title: BindingDB Entry 50019595: Asymmetric synthesis of chiral piperazinylpropylisoxazoline ligands for dopamine receptors.

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21917, and P35462
DOI: 10.7270/q2mk6cnd
title: BindingDB Entry 50023665: Catalytic inhibition of topoisomerase IIalpha by demethylzeylasterone, a 6-oxophenolic triterpenoid from Kokoona zeylanica.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2n58m5z
title: BindingDB Entry 50027198: Identification and SAR around N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, a selective alpha2C adrenergic receptor antagonist.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, and Alpha-2C adrenergic receptor, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q2nc60sw
title: BindingDB Entry 50017268: Imidazo[1,2-b][1,2,4]triazines as alpha2/alpha3 subtype selective GABA A agonists for the treatment of anxiety.

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, GABA receptor alpha-3/beta-3/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, and P47869
DOI: 10.7270/q2rb74c4
title: BindingDB Entry 50023664: Aromatase inhibitors from Broussonetia papyrifera.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2rx9bqq
title: BindingDB Entry 50019611: Methyl 2-(2-(4-formylphenoxy)acetamido)-2-substituted acetate derivatives: a new class of acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P04058 and Q9N1N9