cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27p90x6
title: BindingDB Entry 50044110: Agonists for the adenosine A1 receptor with tunable residence time. A Case for nonribose 4-amino-6-aryl-5-cyano-2-thiopyrimidines.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A2b, Uniprot P29274, P29275, and P30542
DOI: 10.7270/q28k7bd4
title: BindingDB Entry 50042552: Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q29g5nzj
title: BindingDB Entry 50040793: Discovery of TAK-875: A Potent, Selective, and Orally Bioavailable GPR40 Agonist.

description: Small molecule binding data for protein Free fatty acid receptor 1, Free fatty acid receptor 2, Free fatty acid receptor 3, and Free fatty acid receptor 4, Uniprot O14842, O14843, O15552, Q5NUL3, and Q8K3T4
DOI: 10.7270/q2cv4jzb
title: BindingDB Entry 50041282: Antitumor agents. 199. Three-dimensional quantitative structure-activity relationship study of the colchicine binding site ligands using comparative molecular field analysis.

description: Small molecule binding data for protein Tubulin, Uniprot P02550
DOI: 10.7270/q2f76dqq
title: BindingDB Entry 50040792: Structure-activity relationship studies of orally active antimalarial 3,5-substituted 2-aminopyridines.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2fq9z0w
title: BindingDB Entry 50043046: Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Prostaglandin E synthase, and Thromboxane A2 Synthase (P450 TxA2), Uniprot O14684, P09917, and P24557
DOI: 10.7270/q2gq7070
title: BindingDB Entry 50043603: Novel coumarin-3-carboxamides bearing N-benzylpiperidine moiety as potent acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2gt5pds
title: BindingDB Entry 50042020: Multidrug resistance protein 1 (MRP1, ABCC1) mediates resistance to mitoxantrone via glutathione-dependent drug efflux.

description: Small molecule binding data for protein Multidrug resistance-associated protein 1, Uniprot P33527
DOI: 10.7270/q2hm59p2
title: BindingDB Entry 50041281: DoMCoSAR: a novel approach for establishing the docking mode that is consistent with the structure-activity relationship. Application to HIV-1 protease inhibitors and VEGF receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease and Vascular endothelial growth factor receptor 2, Uniprot P35918
DOI: 10.7270/q2j38tw7
title: BindingDB Entry 50042550: Colloidal aggregation causes inhibition of G protein-coupled receptors.

description: Small molecule binding data for protein C-C chemokine receptor type 4 (CCR4), Chemokine receptor type 1 (CXCR1), Cruzipain, and Vasopressin V2 receptor (V2), Uniprot P25024, P25779, P30518, and P51679
DOI: 10.7270/q2k075ff
title: BindingDB Entry 50040791: Design, synthesis, and biological evaluation of novel deguelin-based heat shock protein 90 (HSP90) inhibitors targeting proliferation and angiogenesis.

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1, Uniprot P08238
DOI: 10.7270/q2kd209t
title: BindingDB Entry 50043045: Structure-based optimization of oxadiazole-based GSK-3 inhibitors.

description: Small molecule binding data for protein Casein kinase I delta/epsilon, Cyclin-Dependent Kinase 5 (CDK5), and Serine/threonine-protein kinase Aurora, Uniprot O14965, P49674, and Q00535
DOI: 10.7270/q2mk6f4h
title: BindingDB Entry 50042019: Interaction of omeprazole, lansoprazole and pantoprazole with P-glycoprotein.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2mw2jn2
title: BindingDB Entry 50044107: Discovery, optimization, and characterization of novel D2 dopamine receptor selective antagonists.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2nc62ds
title: BindingDB Entry 50041280: Novel potent ligands for the central nicotinic acetylcholine receptor: synthesis, receptor binding, and 3D-QSAR analysis.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2ns0w8s
title: BindingDB Entry 50042549: Structure-activity relationships of peptides incorporating a bioactive reverse-turn heterocycle at the melanocortin receptors: identification of a 5800-fold mouse melanocortin-3 receptor (mMC3R) selective antagonist/partial agonist versus the mouse melanocortin-4 receptor (mMC4R).

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2pr7x5g
title: BindingDB Entry 50040790: DNA cloning, characterization, and inhibition studies of ana-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2q52r0q
title: BindingDB Entry 50043044: Highly efficient biocompatible neuroprotectants with dual activity as antioxidants and P2Y receptor agonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1 and Purinergic receptor P2Y11, Uniprot P47900, P49651, and Q96G91
DOI: 10.7270/q2r78gpn
title: BindingDB Entry 50043601: Aurora isoform selectivity: design and synthesis of imidazo[4,5-b]pyridine derivatives as highly selective inhibitors of Aurora-A kinase in cells.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Serine/threonine-protein kinase Aurora, and Tyrosine-protein kinase receptor FLT3, Uniprot O14965, P36888, and Q96GD4
DOI: 10.7270/q2rb75vt
title: BindingDB Entry 50042018: Characterization of the major metabolites of verapamil as substrates and inhibitors of P-glycoprotein.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2rn39cs
title: BindingDB Entry 50044106: Synthesis of thio-heterocyclic analogues from Baylis-Hillman bromides as potent cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q2sj1mzn
title: BindingDB Entry 50042548: Studies on an (S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) receptor antagonist IKM-159: asymmetric synthesis, neuroactivity, and structural characterization.

description: Small molecule binding data for protein GRIA2 and Glutamate receptor ionotropic, AMPA 2, Uniprot P19491 and P42262
DOI: 10.7270/q2tx3gr5
title: BindingDB Entry 50043043: Synthesis of mixed (E,Z)-, (E)-, and (Z)-norendoxifen with dual aromatase inhibitory and estrogen receptor modulatory activities.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2w097dc
title: BindingDB Entry 50043600: Solution-phase microwave assisted parallel synthesis of N,N'-disubstituted thioureas derived from benzoic acid: biological evaluation and molecular docking studies.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2w37xk5
title: BindingDB Entry 50042017: Functional characterization of the human multidrug transporter, ABCG2, expressed in insect cells.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q2wd423h
title: BindingDB Entry 50044105: Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.

description: Small molecule binding data for protein Calcium channel (Type L), Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Endopeptidase prolyl oligopeptidase (PREP), Fibroblast activation protein alpha, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P27487, P28843, P48147, Q12809, Q12884, Q13936, Q14524, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2x92cmg
title: BindingDB Entry 50042547: Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17ß-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.

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, Aldo-keto reductase family 1 member C4 (AK1C4), Androgen Receptor, Cyclooxygenase-1 (COX-1), and Cyclooxygenase-2 (COX-2), Uniprot P10275, P17516, P23219, P42330, P52895, Q04828, and Q05769
DOI: 10.7270/q2z60q6r
title: BindingDB Entry 50040788: Structure-activity relationships and blood distribution of antiplasmodial aminopeptidase-1 inhibitors.

description: Small molecule binding data for protein Aminopeptidase N and Carbonic anhydrase 2, Uniprot P00918 and P15145
DOI: 10.7270/q2zp47hb
title: BindingDB Entry 50043042: Identification of 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid (setipiprant/ACT-129968), a potent, selective, and orally bioavailable chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) antagonist.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), G protein-coupled receptor 44, Prostanoid DP receptor, and Prostanoid TP receptor, Uniprot P10635, P11712, P21731, Q13258, and Q9Y5Y4
DOI: 10.7270/q2057hgg
title: BindingDB Entry 50044112: Identification of novel HSP90a/ß isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease.

description: Small molecule binding data for protein Glucose regulated protein 94kDa (Grp94), HSP90 and hnRNPA2/B1, Heat shock protein 75 kDa, mitochondrial, and Heat shock protein HSP90, Uniprot P07900, P08238, P14625, and Q12931
DOI: 10.7270/q20k29rt
title: BindingDB Entry 50041285: Inhibition of monoamine oxidases by functionalized coumarin derivatives: biological activities, QSARs, and 3D-QSARs.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2125tz0
title: BindingDB Entry 50042554: A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase BTK, and p38 delta/gamma, Uniprot P11309, P53778, Q06187, and Q16539
DOI: 10.7270/q21z45ks
title: BindingDB Entry 50040795: Nonpeptidic lysosomal modulators derived from z-phe-ala-diazomethylketone for treating protein accumulation diseases.

description: Small molecule binding data for protein Cathepsin (B and K), Uniprot P07858
DOI: 10.7270/q22f7ptd
title: BindingDB Entry 50043049: Evolution of novel tricyclic CRTh2 receptor antagonists from a (E)-2-cyano-3-(1H-indol-3-yl)acrylamide scaffold.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), G protein-coupled receptor 44, Prostanoid DP receptor, and Prostanoid TP receptor, Uniprot P10635, P11712, P21731, Q13258, and Q9Y5Y4
DOI: 10.7270/q23j3ffd
title: BindingDB Entry 50043606: Protein tyrosine phosphatase 1B (PTP1B) inhibitors from Morinda citrifolia (Noni) and their insulin mimetic activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q23n24pg
title: BindingDB Entry 50042023: Mibefradil is a P-glycoprotein substrate and a potent inhibitor of both P-glycoprotein and CYP3A in vitro.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q23x886w
title: BindingDB Entry 50044111: Discovery of 6-phenylpyrimido[4,5-b][1,4]oxazines as potent and selective acyl CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitors with in vivo efficacy in rodents.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Diacylglycerol O-acyltransferase 1 (DGAT1), Diacylglycerol O-acyltransferase 2, and Voltage-gated potassium channel, Uniprot O75907, O75908, P35610, Q12809, and Q96PD7
DOI: 10.7270/q24b32h0
title: BindingDB Entry 50041284: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics.

description: Small molecule binding data for protein Serotonin receptor 2a and 2b (5HT2A and 5HT2B), Uniprot P30994
DOI: 10.7270/q24t6kpd
title: BindingDB Entry 50042553: Rapid discovery of a novel series of Abl kinase inhibitors by application of an integrated microfluidic synthesis and screening platform.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Tyrosine-protein kinase ABL, and Tyrosine-protein kinase ABL1, Uniprot P00519, P42684, and Q16539
DOI: 10.7270/q2668fkk
title: BindingDB Entry 50043048: Synthesis and evaluation of 4,5-dihydro-5-methylisoxazolin-5-carboxamide derivatives as VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q279464p
title: BindingDB Entry 50043605: Identification of sulfonic acids as efficient ecto-5'-nucleotidase inhibitors.

description: Small molecule binding data for protein Ecto-5'-nucleotidase (e5'NT), Uniprot P21588 and P21589
DOI: 10.7270/q27d2wdt
title: BindingDB Entry 50042022: Interaction of morphine, fentanyl, sufentanil, alfentanil, and loperamide with the efflux drug transporter P-glycoprotein.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2833t7b
title: BindingDB Entry 50041283: Nonpeptide alpha(v)beta(3) antagonists. 1. Transformation of a potent, integrin-selective alpha(IIb)beta(3) antagonist into a potent alpha(v)beta(3) antagonist.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q29z9690
title: BindingDB Entry 50043047: Carbon-11 N-methyl alkylation of L-368,899 and in vivo PET imaging investigations for neural oxytocin receptors.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559 and P70536
DOI: 10.7270/q2c24xpc
title: BindingDB Entry 50042021: Proton-coupled oligopeptide transport by rat renal cortical brush border membrane vesicles: a functional analysis using ACE inhibitors to determine the isoform of the transporter.

description: Small molecule binding data for protein Solute carrier family 15 member 1, Uniprot P51574
DOI: 10.7270/q2c24xvm
title: BindingDB Entry 50043604: An efficient approach to novel 17-5'-(1',2',4')-oxadiazolyl androstenes via the cyclodehydration of cytotoxic O-steroidacylamidoximes, and an evaluation of their inhibitory action on 17a-hydroxylase/C17,20-lyase.

description: Small molecule binding data for protein Cytochrome P450 17A1, Uniprot P11715
DOI: 10.7270/q2cf9rm3
title: BindingDB Entry 50044109: Thiophene carboxamide inhibitors of JAK2 as potential treatments for myleoproliferative neoplasms.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK2, and Voltage-gated potassium channel, Uniprot O60674, P52333, and Q12809
DOI: 10.7270/q2db836r
title: BindingDB Entry 50042551: Optimization of peptide hydroxamate inhibitors of insulin-degrading enzyme reveals marked substrate-selectivity.

description: Small molecule binding data for protein Matrix metalloproteinase-7 (MMP7) and insulin-degrading enzyme isoform 1 precursor, Uniprot P09237 and P14735
DOI: 10.7270/q2h41sz3
title: BindingDB Entry 50044108: Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G-protein coupled bile acid receptor 1, and Transcriptional regulator ERG, Uniprot P08684, P10635, P11308, P11712, Q80SS6, and Q8TDU6
DOI: 10.7270/q2mg7qzx
title: BindingDB Entry 50043602: Advances in the studies of roles of Rho/Rho-kinase in diseases and the development of its inhibitors.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116
DOI: 10.7270/q2ns0w23
title: BindingDB Entry 50040798: ATP-binding site of bacterial enzymes as a target for antibacterial drug design.

description: Small molecule binding data for protein DNA gyrase subunit B and Pantothenate synthetase, Uniprot P9WIL5
DOI: 10.7270/q2r49s0r
title: BindingDB Entry 50041289: 5,6-Dihydropyran-2-ones possessing various sulfonyl functionalities: potent nonpeptidic inhibitors of HIV protease.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2sj1msd
title: BindingDB Entry 50040797: Factor D Inhibitors for the Treatment of AMD: Patent Highlight.

description: Small molecule binding data for protein Factor D, Uniprot P00746
DOI: 10.7270/q2v1268j
title: BindingDB Entry 50043608: TBA

description: Small molecule binding data for protein ALK tyrosine kinase receptor, AXL receptor tyrosine kinase, and Hepatocyte growth factor receptor, Uniprot P08581, P30530, and Q9UM73
DOI: 10.7270/q2v40wgs
title: BindingDB Entry 50042025: Transport of monoamine transmitters by the organic cation transporter type 2, OCT2.

description: Small molecule binding data for protein Adrenaline alpha2, Uniprot Q9R0W2
DOI: 10.7270/q2vd710k
title: BindingDB Entry 50044113: Synthesis of substituted pyrimidines as corticotropin releasing factor (CRF) receptor ligands.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2vt1t90
title: BindingDB Entry 50041288: Synthesis and biological activity of a novel, highly potent progesterone receptor antagonist.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid, and Progesterone receptor, Uniprot P06401, P06537, and P10275
DOI: 10.7270/q2w95bhj
title: BindingDB Entry 50042555: Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT1, Histone-lysine N-methyltransferase SUV39H2 (Suv39H2), Protein G9a (G9a), and Protein arginine methyltransferase 3 (PRMT3), Uniprot Q96KQ7, Q9H5I1, and Q9H9B1
DOI: 10.7270/q2x92cf7
title: BindingDB Entry 50040796: Discovery of the First Potent Inhibitors of Mutant IDH1 That Lower Tumor 2-HG in Vivo.

description: Small molecule binding data for protein Isocitrate Dehydrogenase (IDH1), Uniprot O75874
DOI: 10.7270/q2zs2z0k
title: BindingDB Entry 50043607: TBA

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2zw1n66
title: BindingDB Entry 50042024: Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1.

description: Small molecule binding data for protein Adrenergic Alpha, Uniprot O15245
DOI: 10.7270/q2125tsr
title: BindingDB Entry 50040803: Potent, selective, and orally bioavailable inhibitors of the mammalian target of rapamycin kinase domain exhibiting single agent antiproliferative activity.

description: Small molecule binding data for protein Serine/threonine-protein kinase mTOR, Uniprot P42345
DOI: 10.7270/q22z1722
title: BindingDB Entry 50044119: Anti-inflammatory components of Euphorbia humifusa Willd.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q23b61b5
title: BindingDB Entry 50041297: Toward the quantitative prediction of T-cell epitopes: coMFA and coMSIA studies of peptides with affinity for the class I MHC molecule HLA-A*0201.

description: Small molecule binding data for protein HLA class I histocompatibility antigen A-3, Uniprot P04439
DOI: 10.7270/q23t9jj1
title: BindingDB Entry 50042561: Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q24q7w5r
title: BindingDB Entry 50040802: Development of N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methyl-4-[11C]methylbenzamide for positron emission tomography imaging of metabotropic glutamate 1 receptor in monkey brain.

description: Small molecule binding data for protein Metabotropic glutamate receptor and metabotropic glutamate 1/2, Uniprot P23385 and P31424
DOI: 10.7270/q26q1zs0
title: BindingDB Entry 50044118: Discovery of a novel series of orally active nociceptin/orphanin FQ (NOP) receptor antagonists based on a dihydrospiro(piperidine-4,7'-thieno[2,3-c]pyran) scaffold.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q2736s4d
title: BindingDB Entry 50041296: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q27m0989
title: BindingDB Entry 50042560: Discovery of allosteric modulators of factor XIa by targeting hydrophobic domains adjacent to its heparin-binding site.

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q28g8mvm
title: BindingDB Entry 50040801: Discovery of salermide-related sirtuin inhibitors: binding mode studies and antiproliferative effects in cancer cells including cancer stem cells.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q2b27ws4
title: BindingDB Entry 50043612: TBA

description: Small molecule binding data for protein G-protein coupled receptor 39, Uniprot O43194
DOI: 10.7270/q2b56m05
title: BindingDB Entry 50042029: Drug excretion mediated by a new prototype of polyspecific transporter.

description: Small molecule binding data for protein Adrenaline alpha1, Uniprot Q63089
DOI: 10.7270/q2bg2qhq
title: BindingDB Entry 50044117: Identification of novel SIRT2-selective inhibitors using a click chemistry approach.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent protein deacetylase sirtuin-3 (SIRT3), Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q2bv7hvd
title: BindingDB Entry 50041293: Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2-exo-2-(2'-substituted 5'-pyridinyl)-7-azabicyclo[2.2.1]heptanes. Epibatidine analogues.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390