cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2t43t0h
title: BindingDB Entry 50028631: Synthesis and evaluation of aryl-substituted diarylpropionitriles, selective ligands for estrogen receptor beta, as positron-emission tomographic imaging agents.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2tb16zx
title: BindingDB Entry 50030776: Synthesis and SAR of a novel positive allosteric modulator (PAM) of the metabotropic glutamate receptor 4 (mGluR4).

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGluR4), Uniprot Q14833
DOI: 10.7270/q2x92b8k
title: BindingDB Entry 50029770: TBA

description: Small molecule binding data for protein Neutral Endopeptidase (NEP), Uniprot P07861
DOI: 10.7270/q2xw4jp2
title: BindingDB Entry 50028628: Halogen bonding--a novel interaction for rational drug design?

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q2z31zp8
title: BindingDB Entry 50030775: A conformational constraint improves a beta-secretase inhibitor but for an unexpected reason.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2028rjm
title: BindingDB Entry 50029790: TBA

description: Small molecule binding data for protein Thermolysin, Uniprot P00800
DOI: 10.7270/q20p0zx6
title: BindingDB Entry 50028662: Synthesis and evaluation of a novel indoledione class of long chain fatty acid elongase 6 (ELOVL6) inhibitors.

description: Small molecule binding data for protein Elongation of very long chain fatty acids protein 1, Elongation of very long chain fatty acids protein 2, Elongation of very long chain fatty acids protein 3, Elongation of very long chain fatty acids protein 5, and Elongation of very long chain fatty acids protein 6, Uniprot O35949, Q920L5, Q9BW60, Q9H5J4, Q9HB03, Q9NXB9, and Q9NYP7
DOI: 10.7270/q21v5f18
title: BindingDB Entry 50030783: Novel CXCR3 antagonists with a piperazinyl-piperidine core.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q23t9h7k
title: BindingDB Entry 50029788: TBA

description: Small molecule binding data for protein Leukotriene B4 receptor, Uniprot Q15722
DOI: 10.7270/q24f1qmg
title: BindingDB Entry 50028660: 2009 Edward E Smissman Award. Pharmaceutical"gold" from neurostabilizing agents: topiramate and successor molecules.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q24m94m6
title: BindingDB Entry 50030792: Dihydropyrazolopyrimidines containing benzimidazoles as K(V)1.5 potassium channel antagonists.

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q25m65s1
title: BindingDB Entry 50030782: Discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q27m07x0
title: BindingDB Entry 50029786: TBA

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE), Uniprot P42893
DOI: 10.7270/q2862gb6
title: BindingDB Entry 50028657: Conformationally constrained analogues of diacylglycerol (DAG). 31. Modulation of the biological properties of diacylgycerol lactones (DAG-lactones) containing rigid-rod acyl groups separated from the core lactone by spacer units of different lengths.

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C, epsilon, and Protein kinase C, gamma, Uniprot P05129, P05771, P17252, Q02156, and Q05655
DOI: 10.7270/q28c9w93
title: BindingDB Entry 50030791: Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity: part 2.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Sodium-dependent serotonin transporter, Uniprot P19327 and P31652
DOI: 10.7270/q2c82999
title: BindingDB Entry 50029785: TBA

description: Small molecule binding data for protein Nicotinic acetylcholine receptor alpha9/alpha10, Uniprot Q9JLB5
DOI: 10.7270/q2cz372m
title: BindingDB Entry 50028656: An innovative method to study target protein-drug interactions by mass spectrometry.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot Q07869
DOI: 10.7270/q2h1320k
title: BindingDB Entry 50029784: TBA

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2hq3zt0
title: BindingDB Entry 50028653: Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening.

description: Small molecule binding data for protein Urotensin-2, Uniprot O95399
DOI: 10.7270/q2hx1crc
title: BindingDB Entry 50030789: Synthesis of novel ageladine A analogs showing more potent matrix metalloproteinase (MMP)-12 inhibitory activity than the natural product.

description: Small molecule binding data for protein Matrix metalloproteinase-12 (MMP12), Uniprot P39900
DOI: 10.7270/q2ks6rhx
title: BindingDB Entry 50029793: TBA

description: Small molecule binding data for protein Cannabinoid receptor 1/Mu-type opioid receptor and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2ms3srn
title: BindingDB Entry 50029783: TBA

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2ng4qh8
title: BindingDB Entry 50028650: Synthesis and biological activity of a novel series of 6-substituted thieno[2,3-d]pyrimidine antifolate inhibitors of purine biosynthesis with selectivity for high affinity folate receptors over the reduced folate carrier and proton-coupled folate transporter for cellular entry.

description: Small molecule binding data for protein GAR transformylase and Glycinamide ribonucleotide formyltransferase (GARFTase), Uniprot P22102 and Q64737
DOI: 10.7270/q2np24hj
title: BindingDB Entry 50030788: Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs.

description: Small molecule binding data for protein Histamine H1 receptor and Voltage-gated potassium channel, Uniprot P35367 and Q12809
DOI: 10.7270/q2qj7h83
title: BindingDB Entry 50029792: TBA

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor (KOR), and mu/kappa opioid receptor, Uniprot P33534, P41143, P41144, and P97266
DOI: 10.7270/q2s75g6j
title: BindingDB Entry 50028647: Discovery of highly potent and selective biphenylacylsulfonamide-based beta3-adrenergic receptor agonists and evaluation of physical properties as potential overactive bladder therapies: part 5.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot O02662, P07550, P08588, and P13945
DOI: 10.7270/q2sf2w7w
title: BindingDB Entry 50030786: Isatin derivatives, a novel class of transthyretin fibrillogenesis inhibitors.

description: Small molecule binding data for protein TTR, Uniprot P02766
DOI: 10.7270/q2w95963
title: BindingDB Entry 50029780: TBA

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2ww7hk4
title: BindingDB Entry 50028646: Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2).

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Casein kinase I, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Inhibitor of NF-kappa-B kinase (IKK), MAP kinase ERK2, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Platelet-derived growth factor receptor, Protein kinase C alpha type, Rho-associated protein kinase, Ribosomal protein S6 kinase alpha 1, SRC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O15111, P06241, P08684, P10635, P11712, P12931, P16234, P17252, P28482, P49137, Q13464, Q15418, Q16539, Q96GD4, and Q9HCP0
DOI: 10.7270/q2x34xjw
title: BindingDB Entry 50030785: Synthesis and evaluation of novel tricyclic benzo[4.5]cyclohepta[1.2]pyridine derivatives as NMDA/NR2B antagonists.

description: Small molecule binding data for protein Glutamate [NMDA] receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q13224
DOI: 10.7270/q200025p
title: BindingDB Entry 50030801: A novel class of highly potent multidrug resistance reversal agents: disubstituted adamantyl derivatives.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2000281
title: BindingDB Entry 50031738: Modifications of C-2 on the pyrroloquinoline template aimed at the development of potent herpesvirus antivirals with improved aqueous solubility.

description: Small molecule binding data for protein DNA polymerase (alpha/delta/epsilon), Uniprot P09884
DOI: 10.7270/q20v8cwg
title: BindingDB Entry 50030793: Solubilized phenyl-pyrazole ureas as potent, selective 5-HT(2A) inverse-agonists and their application as antiplatelet agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A) and 5-Hydroxytryptamine receptor 2C (5-HT2C), Uniprot P28223 and P28335
DOI: 10.7270/q22v2g3r
title: BindingDB Entry 50029798: TBA

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q23f4pj0
title: BindingDB Entry 50028691: Synthesis and biological activities of topoisomerase I inhibitors, 6-arylmethylamino analogues of edotecarin.

description: Small molecule binding data for protein DNA topoisomerase I, DNA topoisomerase I (Topo I), and Epidermal growth factor receptor, Uniprot P00533, P11387, and Q04750
DOI: 10.7270/q23n23gc
title: BindingDB Entry 50030800: Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q23r0t2z
title: BindingDB Entry 50031737: The contribution of a 2-amino group on receptor tyrosine kinase inhibition and antiangiogenic activity in 4-anilinosubstituted pyrrolo[2,3-d]pyrimidines.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00533, P09619, P17948, and P35968
DOI: 10.7270/q26m36t2
title: BindingDB Entry 50029796: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Proteinase-activated receptor 1 (PAR1), Uniprot P05106, P08514, and P25116
DOI: 10.7270/q2765f6t
title: BindingDB Entry 50028683: Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1).

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Aldo-keto reductase family 1 member C1, Aldo-keto reductase family 1 member C2, and Aldo-keto reductase family 1 member C4 (AK1C4), Uniprot P17516, P42330, P52895, and Q04828
DOI: 10.7270/q27h1jrt
title: BindingDB Entry 50031736: The identification of indacaterol as an ultralong-acting inhaled beta2-adrenoceptor agonist.

description: Small molecule binding data for protein Beta-2 adrenergic receptor and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot P07550 and Q8K4Z4
DOI: 10.7270/q2bc3zhz
title: BindingDB Entry 50029795: TBA

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, P19793, P28702, and P48443
DOI: 10.7270/q2bz65xt
title: BindingDB Entry 50028680: Synthesis of spirocyclic sigma1 receptor ligands as potential PET radiotracers, structure-affinity relationships and in vitro metabolic stability.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2c53kwk
title: BindingDB Entry 50030798: Synthesis and preliminary pharmacological evaluation of imidazo[2,1-f]purine-2,4-dione derivatives.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P14842, P19327, and P61169
DOI: 10.7270/q2d50n1c
title: BindingDB Entry 50030790: Design and synthesis of new stabilized combi-triazenes for targeting solid tumors expressing the epidermal growth factor receptor (EGFR) or its closest homologue HER2.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2f47p4r
title: BindingDB Entry 50029803: TBA

description: Small molecule binding data for protein Human herpesvirus 1 protease, Uniprot P10210
DOI: 10.7270/q2g160tb
title: BindingDB Entry 50029794: TBA

description: Small molecule binding data for protein Ha-Ras-CVLS, Uniprot P01112
DOI: 10.7270/q2gq6xn5
title: BindingDB Entry 50028674: 2,4(5)-diarylimidazoles as inhibitors of hNaV1.2 sodium channels: pharmacological evaluation and structure-property relationships.

description: Small molecule binding data for protein Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), Uniprot Q99250
DOI: 10.7270/q2gx4bm0
title: BindingDB Entry 50030797: Disubstituted pyrimidines as Lck inhibitors.

description: Small molecule binding data for protein SRC, Uniprot P06239
DOI: 10.7270/q2gx4bqb
title: BindingDB Entry 50031733: Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors: SAR of a series of 3-[6-(4-substituted-piperazin-1-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridine-2-one.

description: Small molecule binding data for protein Cytochrome P450 3A, Insulin-like growth factor 1 receptor, and Insulin-like growth factor I receptor, Uniprot P08069, P08684, and P24062
DOI: 10.7270/q2kp82b4
title: BindingDB Entry 50031741: Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Integrin alpha-L/beta-2 (LFA-1), and integrin alpha-L, Uniprot P05177, P08684, P10635, P11712, P20701, P24063, and P33261
DOI: 10.7270/q2mg7pdb
title: BindingDB Entry 50028670: Application of combinatorial biocatalysis for a unique ring expansion of dihydroxymethylzearalenone.

description: Small molecule binding data for protein SRC, Uniprot P06239
DOI: 10.7270/q2mp53bq
title: BindingDB Entry 50030796: From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2qf8t11
title: BindingDB Entry 50031740: Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Uniprot P10415, P97287, and Q07817
DOI: 10.7270/q2r78f42
title: BindingDB Entry 50028669: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, and Alpha-2A adrenergic receptor, Uniprot P08913, P25100, P35348, and P35368
DOI: 10.7270/q2rf5v3h
title: BindingDB Entry 50030795: Discovery of a novel class of isoxazoline voltage gated sodium channel blockers.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2tb16vk
title: BindingDB Entry 50029800: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2v124qj
title: BindingDB Entry 50028694: Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2v69jrb
title: BindingDB Entry 50031739: Synthesis and biological activity of N(4)-phenylsubstituted-6-(2,4-dichloro phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic and antitumor agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00533, P09619, P17948, and P35968
DOI: 10.7270/q2v9882q
title: BindingDB Entry 50029791: TBA

description: Small molecule binding data for protein Neurokinin 1 receptor and TACR3, Uniprot P25103 and P30098
DOI: 10.7270/q2w095tx
title: BindingDB Entry 50028668: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors.

description: Small molecule binding data for protein Fatty acid desaturase 1, Fatty acid desaturase 2, Stearoyl-CoA desaturase 1, and Stearoyl-CoA desaturase 1 (SCD1), Uniprot O00767, P07308, Q920L1, and Q9Z0R9
DOI: 10.7270/q2w66ktt
title: BindingDB Entry 50030794: Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist.

description: Small molecule binding data for protein GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), and Metabotropic glutamate receptor 5, Uniprot O00222, P41594, Q13255, and Q14416
DOI: 10.7270/q2z31zmc
title: BindingDB Entry 50029799: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2zs2wd4
title: BindingDB Entry 50028692: Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel.

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q21v5dzz
title: BindingDB Entry 50029806: TBA

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q22j6br1
title: BindingDB Entry 50028712: Conformational analysis of N,N-disubstituted-1,4-diazepane orexin receptor antagonists and implications for receptor binding.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q22r3rrx
title: BindingDB Entry 50030809: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q22r3rv8
title: BindingDB Entry 50031748: Stereochemical requirements for the mineralocorticoid receptor antagonist activity of dihydropyridines.

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/q25m65q4
title: BindingDB Entry 50029805: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2668d3w
title: BindingDB Entry 50028706: Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor, GPR145, and Melanin-concentrating hormone receptor, Uniprot P35348, Q969V1, and Q99705
DOI: 10.7270/q26h4hgn
title: BindingDB Entry 50030808: Discovery and biological profile of isoindolinone derivatives as novel metabotropic glutamate receptor 1 antagonists: a potential treatment for psychotic disorders.

description: Small molecule binding data for protein GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 5, and metabotropic glutamate 1/2, Uniprot O00222, P23385, P41594, Q13255, and Q14416
DOI: 10.7270/q26h4hmf
title: BindingDB Entry 50031746: Synthesis and evaluation of 17alpha-arylestradiols as ligands for estrogen receptor alpha and beta.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q27d2v6q
title: BindingDB Entry 50030799: Identification of positron emission tomography ligands for NPY Y5 receptors in the brain.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 5 ( NPY Y5), and PPYR1, Uniprot P25929, P49146, P50391, and Q15761
DOI: 10.7270/q28c9w76
title: BindingDB Entry 50029813: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q29c6xfg
title: BindingDB Entry 50029804: TBA

description: Small molecule binding data for protein Human rhinovirus A protease
DOI: 10.7270/q29z94sf
title: BindingDB Entry 50028702: Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity.

description: Small molecule binding data for protein P-glycoprotein (P-gp) and P-glycoprotein 1, Uniprot P08183 and P21447
DOI: 10.7270/q2b56jt3
title: BindingDB Entry 50030807: Design and synthesis of piperazinylpyrimidinones as novel selective 5-HT(2C) agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P28223, P28335, P41595, and Q12809
DOI: 10.7270/q2b8589q
title: BindingDB Entry 50031743: Function-oriented synthesis of simplified caprazamycins: discovery of oxazolidine-containing uridine derivatives as antibacterial agents against drug-resistant bacteria.

description: Small molecule binding data for protein Phospho-N-acetylmuramoyl-pentapeptide-transferase, Uniprot Q03521
DOI: 10.7270/q2f18zw8
title: BindingDB Entry 50031754: Novel estrone mimetics with high 17beta-HSD1 inhibitory activity.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q2fq9whs
title: BindingDB Entry 50028701: Glucose promoiety enables glucose transporter mediated brain uptake of ketoprofen and indomethacin prodrugs in rats.

description: Small molecule binding data for protein Solute carrier family 2, facilitated glucose transporter member 1, Uniprot P11167
DOI: 10.7270/q2fx79h2
title: BindingDB Entry 50030806: Pyrrole[2,3-d]azepino compounds as agonists of the farnesoid X receptor (FXR).

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2g16100
title: BindingDB Entry 50031742: Structure-based discovery of A2A adenosine receptor ligands.

description: Small molecule binding data for protein Adenosine receptor A2a and Adenosine receptor A3, Uniprot P0DMS8 and P29274
DOI: 10.7270/q2jh3m27
title: BindingDB Entry 50028720: Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1