cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2t43s1j
title: BindingDB Entry 8515: 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 7 interacting protein 1, Uniprot O43318 and Q15750
DOI: 10.7270/q2wh2nvp
title: BindingDB Entry 7837: Design, synthesis, cyclooxygenase inhibition and biological evaluation of new 1,3,5-triaryl-4,5-dihydro-1H-pyrazole derivatives possessing amino/methanesulfonyl pharmacophore.

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/q2ww7gkq
title: BindingDB Entry 8522: 2,4-pyrimidinediamine compounds and their uses

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q2x06650
title: BindingDB Entry 50007265: Discovery of 3-aminobenzyloxycarbonyl as an N-terminal group conferring high affinity to the minimal phosphopeptide sequence recognized by the Grb2-SH2 domain.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q2x9299m
title: BindingDB Entry 50003961: alpha-(Fluoromethyl)dehydroornithine and alpha-(fluoromethyl)dehydroputrescine analogues as irreversible inhibitors of ornithine decarboxylase.

description: Small molecule binding data for protein Ornithine decarboxylase, Uniprot P09057
DOI: 10.7270/q208645j
title: BindingDB Entry 7844: Design, synthesis and biological screening of some novel celecoxib and etoricoxib analogs with promising COX-2 selectivity, anti-inflammatory activity and gastric safety profile.

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/q20p0xz7
title: BindingDB Entry 8529: Bicyclically substituted uracils and the use thereof

description: Small molecule binding data for protein Chymase, Uniprot A0A1U7QTH6
DOI: 10.7270/q20r9njn
title: BindingDB Entry 50007290: Simple analogues of anthralin: unusual specificity of structure and antiproliferative activity.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase
DOI: 10.7270/q2125rpk
title: BindingDB Entry 50004101: Inhibitors of Bacillus subtilis DNA polymerase III. 6-Anilinouracils and 6-(alkylamino)uracils.

description: Small molecule binding data for protein DNA polymerase IIIC and DNA topoisomerase III, Uniprot P13267 and P96583
DOI: 10.7270/q23x85hp
title: BindingDB Entry 7843: Discovery of imidazopyridine derivatives as novel c-Met kinase inhibitors: Synthesis, SAR study, and biological activity.

description: Small molecule binding data for protein c-Met/ALK, c-Met/EGFR, and c-Met/RET, Uniprot P00533, P07949, P08581, and Q9UM73
DOI: 10.7270/q24f1pnh
title: BindingDB Entry 8528: Kinase inhibitors

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A, Glycogen synthase kinase-3, Mitogen-activated protein kinase 14, Tyrosine-protein kinase SYK, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Voltage-gated potassium channel, Uniprot P08684, P11712, P12931, P43405, P49840, Q12809, and Q16539
DOI: 10.7270/q24j0d8x
title: BindingDB Entry 50007286: Betidamino acid scan of the GnRH antagonist acyline.

description: Small molecule binding data for protein Gonadotropin-releasing hormone receptor, Uniprot P30969
DOI: 10.7270/q24t6hcj
title: BindingDB Entry 50004100: Synthesis of analogues of the carboxyl protease inhibitor pepstatin. Effects of structure on inhibition of pepsin and renin.

description: Small molecule binding data for protein Pepsin A, Pepsinogen A5, and Renin, Uniprot P00791, P00797, and P0DJD9
DOI: 10.7270/q27m06xk
title: BindingDB Entry 50004146: Spiro oxazolidinedione aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase (ALR2), Uniprot P16116
DOI: 10.7270/q2862fc7
title: BindingDB Entry 8527: Substituted benzothienyl-pyrrolotriazines and uses thereof

description: Small molecule binding data for protein GST-Fibroblast growth factor receptor 1 (FGFR-1) and GST-Fibroblast growth factor receptor 3 (FGFR-3), Uniprot P09211 and V9HWE9
DOI: 10.7270/q289150n
title: BindingDB Entry 50007284: Discovery of a novel, selective, and orally bioavailable class of thrombin inhibitors incorporating aminopyridyl moieties at the P1 position.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2bg2mth
title: BindingDB Entry 7849: Dihydropyrimidinone-isatin hybrids as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2c828bb
title: BindingDB Entry 50004139: Synthesis of analogues of the carboxyl protease inhibitor pepstatin. Effect of structure in subsite P3 on inhibition of pepsin.

description: Small molecule binding data for protein Pepsin A, Uniprot P00791
DOI: 10.7270/q2cz363n
title: BindingDB Entry 8526: Boron containing small molecules

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2d21wqk
title: BindingDB Entry 50007283: Design, synthesis, and cocrystal structure of a nonpeptide Src SH2 domain ligand.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2d799fq
title: BindingDB Entry 50004093: cis-1,3,4,6,7,11b-Hexahydro-2-methyl-7-phenyl-2H-pyrazino[2,1-a] isoquinoline: a new atypical antidepressant.

description: Small molecule binding data for protein CHRM5, Uniprot P08911
DOI: 10.7270/q2g73cj7
title: BindingDB Entry 7848: Synthesis, biological evaluation and in silico studies of 5-(3-methoxybenzylidene)thiazolidine-2,4-dione analogues as PTP1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2gt5m85
title: BindingDB Entry 50007302: Orally active trifluoromethyl ketone inhibitors of human leukocyte elastase.

description: Small molecule binding data for protein Cathepsin G, Chymotrypsin, Leukocyte elastase, Mast cell carboxypeptidase A, Pancreatic elastase, and Trypsin-1, Uniprot P07477, P08246, P08311, P08419, P15088, and Q99895
DOI: 10.7270/q2hq3xv1
title: BindingDB Entry 8525: Fused pyrimidine compound, and preparation method, intermediate, composition, and uses thereof

description: Small molecule binding data for protein PI3-kinase subunit alpha and PI3-kinase subunit delta, Uniprot O00329 and P42336
DOI: 10.7270/q2hq3z1p
title: BindingDB Entry 50007281: Potent and selective 1,2,3-trisubstituted indole NPY Y-1 antagonists.

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/q2m0448z
title: BindingDB Entry 7847: Synthesis, biological evaluation and docking studies of 2,3-dihydroquinazolin-4(1H)-one derivatives as inhibitors of cholinesterases.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q2mg7ngt
title: BindingDB Entry 8532: Sulfonamide compound

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 8 (TRPM8), Uniprot Q7Z2W7
DOI: 10.7270/q2ms3rsp
title: BindingDB Entry 50004126: Inhibition of thymidylate synthetase by 5-alkynyl-2'-deoxyuridylates.

description: Small molecule binding data for protein Thymidylate Synthase (TS), Uniprot P00469
DOI: 10.7270/q2ng4pj9
title: BindingDB Entry 8524: Thiazole-substituted aminopyrimidines as spleen tyrosine kinase inhibitors

description: Small molecule binding data for protein GST-Tyrosine-protein kinase SYK, Uniprot P09211, P43405, and V9HWE9
DOI: 10.7270/q2qr4w00
title: BindingDB Entry 7846: Synthesis, structure-activity relationships studies of benzoxazinone derivatives as α-chymotrypsin inhibitors.

description: Small molecule binding data for protein Alpha-chymotrypsin, Uniprot P00766
DOI: 10.7270/q2r78d53
title: BindingDB Entry 8531: Complement pathway modulators and uses thereof

description: Small molecule binding data for protein Factor D, Uniprot P00746
DOI: 10.7270/q2rj4hhd
title: BindingDB Entry 50004123: Folate analogues altered in the C9-N10 bridge region. 18. Synthesis and antitumor evaluation of 11-oxahomoaminopterin and related compounds.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00381
DOI: 10.7270/q2vh5mq9
title: BindingDB Entry 7845: Synthesis, in vitro β-glucuronidase inhibitory activity and in silico studies of novel (E)-4-Aryl-2-(2-(pyren-1-ylmethylene)hydrazinyl)thiazoles.

description: Small molecule binding data for protein Beta-glucuronidase (β-glucuronidase)
DOI: 10.7270/q2w094vz
title: BindingDB Entry 8530: Inhibitors of matrix metalloproteinases

description: Small molecule binding data for protein Collagenase and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P08253, P14780, and P45452
DOI: 10.7270/q2w09522
title: BindingDB Entry 50007295: Synthesis and structure-activity profiles of A-homoestranes, the estratropones.

description: Small molecule binding data for protein Tubulin, Uniprot Q6B856
DOI: 10.7270/q2w95874
title: BindingDB Entry 50004115: Synthesis and aldose reductase inhibitory activity of 7-sulfamoylxanthone-2-carboxylic acids.

description: Small molecule binding data for protein Aldose reductase (AR), Uniprot P15121
DOI: 10.7270/q2028qkn
title: BindingDB Entry 50004198: Preparation of 2-amino-4(3H)-oxopyrimido[5,4-b] [1,4]thiazines (5-thiapterins) and their evaluation as cofactors for phenylalanine hydroxylase.

description: Small molecule binding data for protein Phenylalanine-4-hydroxylase, Uniprot P04176
DOI: 10.7270/q2222snq
title: BindingDB Entry 7859: Synthesis of readily available fluorophenylalanine derivatives and investigation of their biological activity.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q22v2f57
title: BindingDB Entry 50004464: Importance of the aromatic ring in adrenergic amines. 7. Comparison of the stereoselectivity of norepinephrine N-methyltransferase for aromatic vs. nonaromatic substrates and inhibitors.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P10938
DOI: 10.7270/q2319tqn
title: BindingDB Entry 7851: Synthesis and in silico studies of novel sulfonamides having oxadiazole ring: As β-glucuronidase inhibitors.

description: Small molecule binding data for protein beta-Glucuronidase (β-glucuronidase), Uniprot P08236
DOI: 10.7270/q23f4nk1
title: BindingDB Entry 8536: Matrix metalloproteinase inhibitors and methods for the treatment of pain and other diseases

description: Small molecule binding data for protein Collagenase, Uniprot P45452
DOI: 10.7270/q23j3c33
title: BindingDB Entry 50007311: 6 beta-Propynyl-substituted steroids: mechanism-based enzyme-activated irreversible inhibitors of aromatase.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q23t9g75
title: BindingDB Entry 50004158: In vitro and in vivo protection of acetylcholinesterase against organophosphate poisoning by pretreatment with a novel derivative of 1,3,2-dioxaphosphorinane 2-oxide.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275 and P37136
DOI: 10.7270/q26972p1
title: BindingDB Entry 50007335: 1-[1-2-Benzo[b]thiopheneyl)cyclohexyl]piperidine hydrochloride (BTCP) yields two active primary metabolites in vitro: synthesis, identification from rat liver microsome extracts, and affinity for the neuronal dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q26q1w36
title: BindingDB Entry 7850: Facile dimethyl amino group triggered cyclic sulfonamides synthesis and evaluation as alkaline phosphatase inhibitors.

description: Small molecule binding data for protein Intestinal alkaline phosphatase (IAP) and Tissue non-specific alkaline phosphatase (TNAP), Uniprot P09487 and P19111
DOI: 10.7270/q2765d89
title: BindingDB Entry 8535: (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and GST-Lysine-specific histone demethylase 1A (LSD1), Uniprot P09211, P21397, P27338, and V9HWE9
DOI: 10.7270/q27943td
title: BindingDB Entry 50007308: Cannabinol derivatives: binding to cannabinoid receptors and inhibition of adenylylcyclase.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272 and P34972
DOI: 10.7270/q29g5knp
title: BindingDB Entry 7857: Green synthesis, inhibition studies of yeast α-glucosidase and molecular docking of pyrazolylpyridazine amines.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q2bc3xkf
title: BindingDB Entry 50004383: Inhibition by 5-(substituted-benzyl)-2,4-diaminopyrimidines of murine tumor (L5178Y) cell cultures sensitive to and resistant to methotrexate. Further evidence for the sensitivity of resistant cells to hydrophobic drugs.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q2bz650q
title: BindingDB Entry 8534: Pyrazole carboxamide compounds and uses thereof

description: Small molecule binding data for protein Trace amine-associated receptor 1 (TAAR1), Uniprot Q923Y8 and Q923Y9
DOI: 10.7270/q2c24vjr
title: BindingDB Entry 50007307: Pyrrolidine-3-carboxylic acids as endothelin antagonists. 2. Sulfonamide-based ETA/ETB mixed antagonists.

description: Small molecule binding data for protein EDNRA, EDNRB, and Endothelin receptor ET-B, Uniprot P24530, P25101, P26684, and P35463
DOI: 10.7270/q2f76bcd
title: BindingDB Entry 7856: Substituted furans as potent lipoxygenase inhibitors: Synthesis, in vitro and molecular docking studies.

description: Small molecule binding data for protein Lipoxygenase (SLO) and Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q2fq9vjt
title: BindingDB Entry 8541: Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2g15zv0
title: BindingDB Entry 50004342: Catechol O-methyltransferase. 12. Affinity labeling the active site with the oxidation products of 5,6-dihydroxyindole.

description: Small molecule binding data for protein Catechol-O-methyltransferase, Uniprot P22734
DOI: 10.7270/q2gq6wqn
title: BindingDB Entry 8533: 3-cyclohexenyl and cyclohexyl substituted indole and indazole compounds as RORgammaT inhibitors and uses thereof

description: Small molecule binding data for protein Retinoid-related orphan receptor-gamma (RORgT)
DOI: 10.7270/q2h1311m
title: BindingDB Entry 50004131: Interaction of 5-ethynyl-2'-deoxyuridylate with thymidylate synthetase.

description: Small molecule binding data for protein Thymidylate Synthase (TS), Uniprot P00469
DOI: 10.7270/q2k07334
title: BindingDB Entry 7855: Synthesis, characterization and biological evaluation of novel chalcone sulfonamide hybrids as potent intestinal alkaline phosphatase inhibitors.

description: Small molecule binding data for protein Ecto-5'-nucleotidase (e5'NT), Intestinal alkaline phosphatase (IAP), and Tissue non-specific alkaline phosphatase (TNAP), Uniprot P09487, P19111, P21588, and P21589
DOI: 10.7270/q2kh0m83
title: BindingDB Entry 8540: Protein kinase B inhibitors

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2kk99wj
title: BindingDB Entry 50007323: N-hydroxyalkyl derivatives of 3 beta-phenyltropane and 1-methylspiro[1H-indoline-3,4'-piperidine]: vesamicol analogues with affinity for monoamine transporters.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Sigma, Sodium-dependent serotonin transporter, and Vesicular acetylcholine transporter, Uniprot P23977, P31652, Q16572, and Q99720
DOI: 10.7270/q2ks6qjz
title: BindingDB Entry 50004334: Syntheses of alpha- and gamma-substituted amides, peptides, and esters of methotrexate and their evaluation as inhibitors of folate metabolism.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00375
DOI: 10.7270/q2mg7nn2
title: BindingDB Entry 50007299: NMR-based discovery of lead inhibitors that block DNA binding of the human papillomavirus E2 protein.

description: Small molecule binding data for protein Human papillomavirus regulatory protein E2, Uniprot P03120
DOI: 10.7270/q2pr7ttr
title: BindingDB Entry 7854: Design and synthesis of quinazoline-3,4-(4H)-diamine endowed with thiazoline moiety as new class for DPP-4 and DPPH inhibitor.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2q81c18
title: BindingDB Entry 8539: C6-azaspiro iminothiadiazine dioxides as bace inhibitors, compositions, and their use

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2q81c6h
title: BindingDB Entry 50007319: Class III antiarrhythmic activity in vivo by selective blockade of the slowly activating cardiac delayed rectifier potassium current IKs by (R)-2-(2,4-trifluoromethyl)-N-[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)- 2, 3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]acetamide.

description: Small molecule binding data for protein Cholecystokinin receptor and Voltage-gated potassium channel, Uniprot P32239 and Q12809
DOI: 10.7270/q2qj7g94
title: BindingDB Entry 50004294: N-(alpha-Hydroxyalkanoyl) derivatives of Leu-Val-Phe-OCH3 as inhibitors of renin.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2r78dbb
title: BindingDB Entry 50007298: Synthesis and pharmacological characterization of 3-[2-((3aR,9bR)-cis-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benz[e] isoindol-2-yl)ethyl]pyrido-[3',4':4,5]thieno[3,2-d]pyrimidine-2,4 (1H,3H)-dione (A-131701): a uroselective alpha 1A adrenoceptor antagonist for the symptomatic treatment of benign pr

description: Small molecule binding data for protein Adrenergic alpha1B, Adrenergic receptor alpha-2, Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Dopamine D1 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, HTR1F, and Serotonin 2a (5-HT2a) receptor, Uniprot P07550, P08588, P08913, P14416, P15823, P18825, P19328, P23944, P25100, P30940, P35348, P35368, P43140, Q4W594, Q61616, and Q75Z89
DOI: 10.7270/q2th8kjg
title: BindingDB Entry 7853: Novel N-hydroxybenzamides incorporating 2-oxoindoline with unexpected potent histone deacetylase inhibitory effects and antitumor cytotoxicity.

description: Small molecule binding data for protein Histone deacetylase, Uniprot Q92769
DOI: 10.7270/q2v123q4
title: BindingDB Entry 8538: Cyclopropanamine compound and use thereof

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and GST-Lysine-specific histone demethylase 1A (LSD1), Uniprot P09211, P21397, P27338, and V9HWE9
DOI: 10.7270/q2v123wc
title: BindingDB Entry 50007317: Importance of the C-1 substituent in classical cannabinoids to CB2 receptor selectivity: synthesis and characterization of a series of O,2-propano-delta 8-tetrahydrocannabinol analogs.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P20272, P21554, P34972, and Q9QZN9
DOI: 10.7270/q2v9873r
title: BindingDB Entry 50004271: Binding specificities of adenosine aminohydrolase from calf intestinal mucosa with dialdehydes derived from hexofuranosyladenine nucleosides.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2z89b86
title: BindingDB Entry 7852: In search of new α-glucosidase inhibitors: Imidazolylpyrazole derivatives.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q2zs2vdq
title: BindingDB Entry 8537: Compound useful for the treatment of degenerative and inflammatory diseases

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3 (781-1124)
DOI: 10.7270/q2zs2vmd
title: BindingDB Entry 50007315: 17-Imidazolyl, pyrazolyl, and isoxazolyl androstene derivatives. Novel steroidal inhibitors of human cytochrome C17,20-lyase (P450(17 alpha).

description: Small molecule binding data for protein Cytochrome P450 17A1, Uniprot P05093 and P11715
DOI: 10.7270/q2125rhb
title: BindingDB Entry 7867: Carbohydrazones as new class of carbonic anhydrase inhibitors: Synthesis, kinetics, and ligand docking studies.

description: Small molecule binding data for protein Carbonic anhydrase, Uniprot P00921
DOI: 10.7270/q21v5d0d
title: BindingDB Entry 50004848: Phenoxypropylamines: a new series of squalene synthase inhibitors.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q22j69s2
title: BindingDB Entry 8544: Acyclic cyanoethylpyrazoles as janus kinase inhibitors

description: Small molecule binding data for protein GST-JAK1 and GST-JAK2, Uniprot O60674, P09211, P23458, and V9HWE9
DOI: 10.7270/q22j69z9
title: BindingDB Entry 50007336: (Aryloxy)alkylamines as selective human dopamine D4 receptor antagonists: potential antipsychotic agents.

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/q24t6h7r
title: BindingDB Entry 7866: Synthesis and preliminary biological assay of uridine glycoconjugate derivatives containing amide and/or 1,2,3-triazole linkers.

description: Small molecule binding data for protein β-1,4-Galactosyltransferase I (β4GalT), Uniprot P08037
DOI: 10.7270/q25m64r5
title: BindingDB Entry 50004811: (+/-)-trans-2-(Aminomethyl)cyclobutanecarboxylic acid hydrochloride: a rigid analogue of gamma-aminobutyric acid.

description: Small molecule binding data for protein GABA receptor gamma-1 subunit, Uniprot P23574
DOI: 10.7270/q25t3jbp
title: BindingDB Entry 7858: Synthesis, molecular docking and biological evaluation of some newer 2-substituted-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylpyridazin-3(2H)-ones as potential anti-inflammatory and analgesic agents.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q2668c4x
title: BindingDB Entry 8543: Compounds inhibiting leucine-rich repeat kinase enzyme activity

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)
DOI: 10.7270/q26m35wj
title: BindingDB Entry 50004394: Inhibitors of adenosine deaminase. Studies in combining high-affinity enzyme-binding structural units. erythro-1,6-Dihydro-6-(hydroxymethyl)-9-(2-hydroxy-3-nonyl)purine and erythro-9-(2-hydroxy-3-nonyl)purine.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q28k77xm
title: BindingDB Entry 7865: Synthesis and study of anti-HIV-1 RT activity of 5-benzoyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one derivatives.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585