cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2g73f54
title: BindingDB Entry 50034335: Discovery of cyclic amine-substituted benzoic acids as PPARa agonists.

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, Peroxisome proliferator-activated receptor delta (PPAR delta), and Peroxisome proliferator-activated receptor gamma, Uniprot O88275, P23204, P35396, P37230, P37231, P37238, Q03181, Q07869, Q0ZAQ8, Q4U3Q4, and Q95N78
DOI: 10.7270/q2k64jm5
title: BindingDB Entry 50035137: Carbonic anhydrase inhibitors: 4-sulfamoyl-benzenecarboxamides and 4-chloro-3-sulfamoyl-benzenecarboxamides with strong topical antiglaucoma properties.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, and Q95323
DOI: 10.7270/q2k937v7
title: BindingDB Entry 50033472: The discovery of novel calcium sensing receptor negative allosteric modulators.

description: Small molecule binding data for protein Calcium sensing receptor and Calcium-sensing receptor (CaSR), Uniprot P41180 and P48442
DOI: 10.7270/q2kw5g84
title: BindingDB Entry 50032657: Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P23795 and P81908
DOI: 10.7270/q2m045wf
title: BindingDB Entry 50034334: Discovery and bioactivity of 4-(2-arylpyrido[3',2':3,4]pyrrolo[1,2-f][1,2,4]triazin-4-yl) morpholine derivatives as novel PI3K inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, Uniprot P42336
DOI: 10.7270/q2mp53dm
title: BindingDB Entry 50031732: Investigation of the bioactive conformation of histamine H3 receptor antagonists by the cyclopropylic strain-based conformational restriction strategy.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q2pz59bk
title: BindingDB Entry 50035136: Piperazinyl benzamidines: synthesis and affinity for the delta opioid receptor.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2qn6719
title: BindingDB Entry 50032656: Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.

description: Small molecule binding data for protein Triosephosphate isomerase, glycosomal, Uniprot P52270
DOI: 10.7270/q2qr4xjk
title: BindingDB Entry 50034333: Discovery of pyrrolidine-basedß-secretase inhibitors: lead advancement through conformational design for maintenance of ligand binding efficiency.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, and Renin, Uniprot P00797, P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2sq90r8
title: BindingDB Entry 50033478: Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-2 (COX-2), Uniprot P35354 and Q05769
DOI: 10.7270/q2tm7bnk
title: BindingDB Entry 50035135: 3-Carboxamido analogues of morphine and naltrexone. synthesis and opioid receptor binding properties.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2vd6zqs
title: BindingDB Entry 50032655: Convenient synthesis and biological profile of 5-amino-substituted 1,2,4-oxadiazole derivatives.

description: Small molecule binding data for protein BiP isoform A
DOI: 10.7270/q2vd6zw1
title: BindingDB Entry 50034332: Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, GPR145, Melanin-concentrating hormone receptor, Serotonin and norepinephrine transporters (SERT/NET), and Voltage-gated potassium channel, Uniprot P14416, P31645, Q12809, Q969V1, and Q99705
DOI: 10.7270/q2w66kx5
title: BindingDB Entry 50031730: Synthesis, characterization and vasculoprotective effects of nitric oxide-donating derivatives of chrysin.

description: Small molecule binding data for protein Aldose reductase (ALR2), Uniprot P16116
DOI: 10.7270/q2xg9rgm
title: BindingDB Entry 50033477: Design and synthesis of 3-alkyl-2-aryl-1,3-thiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2zc83c9
title: BindingDB Entry 50035134: Biphenyls as surrogates of the steroidal backbone. Part 2: discovery of a novel family of non-steroidal 5-alpha-reductase inhibitors.

description: Small molecule binding data for protein Steroid 5-alpha-reductase, Uniprot P31213
DOI: 10.7270/q21836t2
title: BindingDB Entry 50033484: Concise synthesis and CDK/GSK inhibitory activity of the missing 9-azapaullones.

description: Small molecule binding data for protein Casein kinase I isoform alpha, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Dual specificty protein kinase CLK1, Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, and Glycogen synthase kinase 3, Uniprot O19175, O60563, P06493, P14635, P20248, P24941, P49759, P50750, Q00535, Q15078, and Q63470
DOI: 10.7270/q21z44pq
title: BindingDB Entry 50032669: 2-Azetidinone--a new profile of various pharmacological activities.

description: Small molecule binding data for protein Chymase, Collagenase, and Leukocyte elastase, Uniprot P08246, P08253, and P23946
DOI: 10.7270/q21z44wd
title: BindingDB Entry 50034346: AChE inhibitor: a regio- and stereo-selective 1,3-dipolar cycloaddition for the synthesis of novel substituted 5,6-dimethoxy spiro[5.3']-oxindole-spiro-[6.3¿]-2,3-dihydro-1H-inden-1¿-one-7-(substituted aryl)-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2251jpx
title: BindingDB Entry 50035141: 3-Arylpiperidines as potentiators of existing antibacterial agents.

description: Small molecule binding data for protein Phospho-N-acetylmuramoyl-pentapeptide-transferase, Uniprot P0A6W3
DOI: 10.7270/q24x589d
title: BindingDB Entry 50035148: Amino acid derived sulfonamide hydroxamates as inhibitors of procollagen C-proteinase: solid-phase synthesis of ornithine analogues.

description: Small molecule binding data for protein Bone morphogenetic protein 1, Uniprot P13497
DOI: 10.7270/q2513zhz
title: BindingDB Entry 50033483: Discovery of pyridone-containing imidazolines as potent and selective inhibitors of neuropeptide Y Y5 receptor.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 5 ( NPY Y5), PPYR1, and Voltage-gated potassium channel, Uniprot P25929, P49146, P50391, Q12809, and Q15761
DOI: 10.7270/q25q4wcm
title: BindingDB Entry 50032668: Synthesis and biological evaluation of some thiazolylpyrazole derivatives as dual anti-inflammatory antimicrobial agents.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q25q4wjv
title: BindingDB Entry 50034345: 4,5-dihydropyridazin-3-one derivatives as histamine H3 receptor inverse agonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine H3 receptor, Histamine receptor (H3), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q28p6114
title: BindingDB Entry 50035147: Sar studies of piperidine-based analogues of cocaine. Part 3: oxadiazoles.

description: Small molecule binding data for protein Monoamine transporters; Norepininephrine & dopamine, Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q28s4q7c
title: BindingDB Entry 50033482: Heterocyclic replacement of the central phenyl core of diamine-based histamine H3 receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q29g5n2w
title: BindingDB Entry 50032667: Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), and Matrix metalloproteinase-7 (MMP7), Uniprot P03956, P09237, P22894, P39900, and P45452
DOI: 10.7270/q29g5n74
title: BindingDB Entry 50034344: SAR studies on the central phenyl ring of substituted biphenyl oxazolidinone-potent CETP inhibitors.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q29p325h
title: BindingDB Entry 50035139: Phytoestrogens from the roots of Polygonum cuspidatum (Polygonaceae): structure-requirement of hydroxyanthraquinones for estrogenic activity.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estrogen receptor, Uniprot P03372 and Q92731
DOI: 10.7270/q2df6rr2
title: BindingDB Entry 50035146: Spiro(indoline-3,4'-piperidine) growth hormone secretagogues as ghrelin mimetics.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2dj5fzp
title: BindingDB Entry 50033481: Evaluation of structurally diverse neuronal nicotinic receptor ligands for selectivity at the alpha6( *) subtype.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P49582
DOI: 10.7270/q2f47pdb
title: BindingDB Entry 50032666: Synthesis and biological evaluation of oleanolic acid derivatives as inhibitors of protein tyrosine phosphatase 1B.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2f76d09
title: BindingDB Entry 50034343: 4-arylphthalazin-1(2H)-one derivatives as potent antagonists of the melanin concentrating hormone receptor 1 (MCH-R1).

description: Small molecule binding data for protein Melanin-concentrating hormone receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q99705
DOI: 10.7270/q2h995j1
title: BindingDB Entry 50033488: Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.

description: Small molecule binding data for protein HMG-CoA reductase, Uniprot P51639
DOI: 10.7270/q2j67hgs
title: BindingDB Entry 50035145: Selectivity enhancement induced by substitution of non-natural analogues of arginine and lysine in arginine-based thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin and Trypsin, Uniprot P00734 and P00760
DOI: 10.7270/q2j966qv
title: BindingDB Entry 50033480: Design and synthesis of 3,5-diarylisoxazole derivatives as novel class of anti-hyperglycemic and lipid lowering agents.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2jw8f4r
title: BindingDB Entry 50032665: Ipomotaosides A-D, resin glycosides from the aerial parts of Ipomoea batatas and their inhibitory activity against COX-1 and COX-2.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2k074qm
title: BindingDB Entry 50034342: Emodin inhibits migration and invasion of DLD-1 (PRL-3) cells via inhibition of PRL-3 phosphatase activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 4A3, Uniprot O75365
DOI: 10.7270/q2nz8866
title: BindingDB Entry 50035144: Introduction of alkynyl chains on C-8 of adenosine led to very selective antagonists of the A(3) adenosine receptor.

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/q2p26zf6
title: BindingDB Entry 50033479: Retinoid receptor subtype-selective modulators through synthetic modifications of RARgamma agonists.

description: Small molecule binding data for protein Retinoic acid receptor alpha, Retinoic acid receptor beta, and Retinoic acid receptor gamma, Uniprot P11416, P18911, and P22605
DOI: 10.7270/q2pn95wh
title: BindingDB Entry 50032664: Design, synthesis and inhibitory activity against Mycobacterium tuberculosis thymidine monophosphate kinase of acyclic nucleoside analogues with a distal imidazoquinolinone.

description: Small molecule binding data for protein Thymidylate kinase, Uniprot P9WKE1
DOI: 10.7270/q2pr7wfn
title: BindingDB Entry 50034341: Synthesis and SAR study of imidazoquinolines as a novel structural class of microsomal prostaglandin E2 synthase-1 inhibitors.

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2rv0p1s
title: BindingDB Entry 50033486: Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C) and 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P28335 and P50406
DOI: 10.7270/q2sj1m20
title: BindingDB Entry 50034348: Discovery of potent and selective matrix metalloprotease 12 inhibitors for the potential treatment of chronic obstructive pulmonary disease (COPD).

description: Small molecule binding data for protein Collagenase, Macrophage metalloelastase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 12, Matrix metalloproteinase-12, Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P08253, P08254, P09237, P14780, P22894, P34960, P39900, P45452, and P79227
DOI: 10.7270/q2sq90xh
title: BindingDB Entry 50035143: Synthesis of N(1)-substituted analogues of (2R,4R)-4-amino-pyrrolidine-2,4-dicarboxylic acid as agonists, partial agonists, and antagonists of group II metabotropic glutamate receptors.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 3 (mGlu3), and Metabotropic glutamate receptor 6 (mGlu6), Uniprot P31421, P31422, and P35349
DOI: 10.7270/q2td9xmv
title: BindingDB Entry 50032663: Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX).

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2th8n4x
title: BindingDB Entry 50034340: Hydroxycoumarins as selective MAO-B inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2wh2qbs
title: BindingDB Entry 50033485: Discovery and optimization of N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Fibroblast growth factor receptor 1, Macrophage colony stimulating factor receptor, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase ICK, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O14757, O96017, P06493, P07333, P10721, P11362, P24941, P31751, P35968, P36888, and Q9UPZ9
DOI: 10.7270/q2xd1261
title: BindingDB Entry 50035142: Studies leading to the identification of ZD1839 (IRESSA): an orally active, selective epidermal growth factor receptor tyrosine kinase inhibitor targeted to the treatment of cancer.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2z60pb4
title: BindingDB Entry 50032662: Small molecule inhibitors of hantavirus infection.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2z60phc
title: BindingDB Entry 50034339: Inhibitors of human 2,3-oxidosqualene cyclase (OSC) discovered by virtual screening.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449
DOI: 10.7270/q20865tg
title: BindingDB Entry 50035157: Synthesis and in vitro evaluation of a series of diketopiperazine inhibitors of plasminogen activator inhibitor-1.

description: Small molecule binding data for protein Plasminogen activator inhibitor-1, Uniprot P05121
DOI: 10.7270/q20c4w31
title: BindingDB Entry 50033492: Cytotoxic and NF-¿B inhibitory constituents of the stems of Cratoxylum cochinchinense and their semisynthetic analogues.

description: Small molecule binding data for protein Nuclear factor NF-kappa-B, Uniprot Q04206
DOI: 10.7270/q20z73hw
title: BindingDB Entry 50032677: TBA

description: Small molecule binding data for protein GRIA2, GRIA3, Glutamate kainate, Glutamate receptor 1 (GluA1), Glutamate receptor ionotropic, AMPA 2, Glutamate receptor ionotropic, AMPA 4, Glutamate receptor ionotropic, kainate, and Ionotropic glutamate receptor kainate 2/5, Uniprot P19490, P19491, P19492, P19493, P22756, P42260, P42262, and P42264
DOI: 10.7270/q2125t3s
title: BindingDB Entry 50034354: 5-HT2c receptor selectivity and structure-activity relationship of N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide analogs.

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/q2154hk0
title: BindingDB Entry 50035149: The discovery of anthranilic acid-based MMP inhibitors. Part 2: SAR of the 5-position and P1(1) groups.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P14780, P45452, and P78536
DOI: 10.7270/q23x8751
title: BindingDB Entry 50035156: New leads for selective inhibitors of alpha-L-fucosidases. Synthesis and glycosidase inhibitory activities of [(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]furan derivatives.

description: Small molecule binding data for protein β-galactosidase, Alpha-L-fucosidase I, and Beta-galactosidase, Uniprot P04066, P29853, and Q58D55
DOI: 10.7270/q2416xd1
title: BindingDB Entry 50033491: Design of novel neurokinin 1 receptor antagonists based on conformationally constrained aromatic amino acids and discovery of a potent chimeric opioid agonist-neurokinin 1 receptor antagonist.

description: Small molecule binding data for protein Delta-type opioid receptor, Neurokinin 1 receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P25103, P32300, P33533, P33535, P41144, and P97266
DOI: 10.7270/q24q7v77
title: BindingDB Entry 50032676: TBA

description: Small molecule binding data for protein Nociceptin/Orphanin FQ, NOP receptor, Uniprot P35377
DOI: 10.7270/q24q7vfx
title: BindingDB Entry 50034353: Novel brain penetrant benzofuropiperidine 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, HTR6, Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P31388, P33261, P41595, P50406, and Q12809
DOI: 10.7270/q27p8zwz
title: BindingDB Entry 50035155: Benzamide bioisosteres incorporating dihydroheteroazole substructures: EPC synthesis and SAR leading to a selective dopamine D4 receptor partial agonist (FAUC 179).

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08908, P14416, P21917, P35462, and Q95136
DOI: 10.7270/q27s7p30
title: BindingDB Entry 50033490: Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, Matrix metalloproteinase-12 (MMP12), Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P05106, P06756, P08514, P35869, P39900, Q03181, and Q07869
DOI: 10.7270/q28g8kzj
title: BindingDB Entry 50032675: TBA

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q28g8m46
title: BindingDB Entry 50034352: Structure-activity relationship studies of S1P agonists with a dihydronaphthalene scaffold.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2cf9qmp
title: BindingDB Entry 50035154: Hydrophobicity, a physicochemical factor in the inhibition of the enzyme estrone sulfatase (ES).

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2cj8dt9
title: BindingDB Entry 50033489: Discovery of ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(5-(trifluoromethyl)pyridazin-3-yl)piperazin-1-yl)methanone, PF-4254196, a CCR2 antagonist with an improved cardiovascular profile.

description: Small molecule binding data for protein C-C chemokine receptor type 2 and Voltage-gated potassium channel, Uniprot O95950, P41597, and Q12809
DOI: 10.7270/q2d79bnt
title: BindingDB Entry 50032674: TBA

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2d79bt2
title: BindingDB Entry 50034351: Ligand based design of novel histamine H4 receptor antagonists; fragment optimization and analysis of binding kinetics.

description: Small molecule binding data for protein Histamine H1 Receptor, Histamine H1 receptor, Histamine H3 receptor, Histamine H4 Receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P31390, P35367, P58406, P70174, Q91ZY1, Q91ZY2, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2h70gbz
title: BindingDB Entry 50035153: Derivatives of (2R,3R,4S)-2-aminomethylpyrrolidine-3,4-diol are selective alpha-mannosidase inhibitors.

description: Small molecule binding data for protein Alpha-mannosidase, Beta-galactosidase, Beta-galactosidase/Glucosylceramidase, Beta-glucosidase, Beta-glucosidase A, and Glucoamylase, Uniprot P07683, P10482, P16278, P29853, P69328, and Q58D55
DOI: 10.7270/q2hx1cz2
title: BindingDB Entry 50032673: TBA

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943