cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2mp52ps
title: BindingDB Entry 50013914: Novel oxazolidinone-quinolone hybrid antimicrobials.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot Q02880
DOI: 10.7270/q2ms3s0s
title: BindingDB Entry 50009715: Deltorphin II analogues with 6-hydroxy-2-aminotetralin-2-carboxylic acid in position 1.

description: Small molecule binding data for protein Delta-type opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, and P97266
DOI: 10.7270/q2n58kvh
title: BindingDB Entry 50015576: Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2np23qt
title: BindingDB Entry 50011902: QSAR study on adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues using the hansch approach.

description: Small molecule binding data for protein Adenosine kinase, Uniprot P55263
DOI: 10.7270/q2np2418
title: BindingDB Entry 50017514: Novel substituted naphthalen-1-yl-methanone derivatives as anti-hyperglycemic agents.

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q2qf8s96
title: BindingDB Entry 50013931: Pyrazole and isoxazole derivatives as new, potent, and selective 20-hydroxy-5,8,11,14-eicosatetraenoic acid synthase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, and P11712
DOI: 10.7270/q2qj7ght
title: BindingDB Entry 50009728: Potent acetylcholinesterase inhibitors: design, synthesis and structure-activity relationships of alkylene linked bis-galanthamine and galanthamine-galanthaminium salts.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2rx9bkx
title: BindingDB Entry 50015570: Structure-affinity relationship study on N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinealkylamides, a new class of 5-hydroxytryptamine7 receptor agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and Serotonin (5-HT) receptor, Uniprot P14842, P19327, P32305, and P34969
DOI: 10.7270/q2sb4534
title: BindingDB Entry 50011900: Tricyclic isoxazoles are novel inhibitors of the multidrug resistance protein (MRP1).

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2sf2vr6
title: BindingDB Entry 50017513: N-Alkyl-N-arylmethylpiperidin-4-amines: novel dual inhibitors of serotonin and norepinephrine reuptake.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2v69j1x
title: BindingDB Entry 50013928: A new class of potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: structure-activity relationships for a series of 9-alkoxymethyl-12-(3-hydroxypropyl)indeno[2,1-a]pyrrolo[3,4-c]carbazole-5-ones and the identification of CEP-5214 and its dimethylglycine ester prodrug clin

description: Small molecule binding data for protein Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin receptor, Mitogen-activated protein kinase 14, Neurotrophic tyrosine kinase receptor, Platelet-derived growth factor receptor beta, Protein kinase C, PKC; classical, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and c-Jun N-terminal kinase, JNK, Uniprot L7RSL3, O14757, O95067, O96017, P04629, P05696, P06213, P06493, P09619, P10721, P11362, P14635, P17948, P35916, P35968, P36888, P45983, P63319, P68403, Q02763, Q16539, and Q8WWL7
DOI: 10.7270/q2w958ft
title: BindingDB Entry 50009710: Novel benzofuran and benzothiophene biphenyls as inhibitors of protein tyrosine phosphatase 1B with antihyperglycemic properties.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Protein-tyrosine phosphatase 1B, and Receptor-type tyrosine-protein phosphatase F (LAR), Uniprot P10586, P18031, and P51452
DOI: 10.7270/q2wq038r
title: BindingDB Entry 50015568: Discovery of pyrano[3,4-b]indoles as potent and selective HCV NS5B polymerase inhibitors.

description: Small molecule binding data for protein DNA polymerase beta, Uniprot P06746
DOI: 10.7270/q2x34wsm
title: BindingDB Entry 50011899: Dermorphin and deltorphin heptapeptide analogues: replacement of Phe residue by Dmp greatly improves opioid receptor affinity and selectivity.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, and P97266
DOI: 10.7270/q2x63mhc
title: BindingDB Entry 50017512: Optimization of 2-aminothiazole derivatives as CCR4 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 4 (CCR4), Uniprot P51679
DOI: 10.7270/q20z72vz
title: BindingDB Entry 50017520: Synthesis of phospholipase A2 inhibitory biflavonoids.

description: Small molecule binding data for protein Phospholipase A2, membrane associated, Uniprot P14555
DOI: 10.7270/q21r6px5
title: BindingDB Entry 50013963: Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT) Chain B, Uniprot P49354, P49356, and P53609
DOI: 10.7270/q22v2fcx
title: BindingDB Entry 50009739: A study of the relationship between biological activity and prolyl amide isomer geometry in oxytocin using 5-tert-butylproline to augment the Cys(6)-Pro(7) amide cis-isomer population.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P70536
DOI: 10.7270/q237786m
title: BindingDB Entry 50015608: Discovery of tetralin carboxamide growth hormone secretagogue receptor antagonists via scaffold manipulation.

description: Small molecule binding data for protein Ghrelin receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q92847
DOI: 10.7270/q24m93tg
title: BindingDB Entry 50011908: Synthesis and evaluation of pseudopeptide analogues of a specific CXCR4 inhibitor, T140: the insertion of an (E)-alkene dipeptide isostere into the betaII'-turn moiety.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q25h7fpb
title: BindingDB Entry 50013962: 4-methyl-1,2,4-triazol-3-yl heterocycle as an alternative to the 1-methylimidazol-5-yl moiety in the farnesyltransferase inhibitor ZARNESTRA.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356
DOI: 10.7270/q26m3626
title: BindingDB Entry 50009737: Synthesis of conformationally constrained analogues of KN62, a potent antagonist of the P2X7-receptor.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q26w99k6
title: BindingDB Entry 50015606: 5-Chloroindoloyl glycine amide inhibitors of glycogen phosphorylase: synthesis, in vitro, in vivo, and X-ray crystallographic characterization.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Uniprot P06737
DOI: 10.7270/q27d2tff
title: BindingDB Entry 50011925: Investigation of potential bioisosteric replacements for the carboxyl groups of peptidomimetic inhibitors of protein tyrosine phosphatase 1B: identification of a tetrazole-containing inhibitor with cellular activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q28g8k91
title: BindingDB Entry 50017518: Design of a potent, soluble glucokinase activator with excellent in vivo efficacy.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q29886fh
title: BindingDB Entry 50013961: Successful shape-based virtual screening: the discovery of a potent inhibitor of the type I TGFbeta receptor kinase (TbetaRI).

description: Small molecule binding data for protein TGF-beta receptor type I, Uniprot P36897
DOI: 10.7270/q2b857br
title: BindingDB Entry 50009735: Inhibition of the ras-dependent mitogenic pathway by phosphopeptide prodrugs with antiproliferative properties.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q2bp0281
title: BindingDB Entry 50015605: Potent Kv1.3 inhibitors from correolide-modification of the C18 position.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot P22001
DOI: 10.7270/q2c53k55
title: BindingDB Entry 50011924: Binding mode analysis of 3-(4-benzoyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamide: a new synthetic histone deacetylase inhibitor inducing histone hyperacetylation, growth inhibition, and terminal cell differentiation.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase HD2, Uniprot O09106 and Q94F81
DOI: 10.7270/q2c828xz
title: BindingDB Entry 50017532: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors.

description: Small molecule binding data for protein Malonyl-CoA decarboxylase, Uniprot O95822
DOI: 10.7270/q2f18z4d
title: BindingDB Entry 50013958: beta-alanine dipeptides as MC4R agonists.

description: Small molecule binding data for protein Melanocortin receptor 4, Uniprot P32245
DOI: 10.7270/q2g16011
title: BindingDB Entry 50009732: Diacylglycerols with lipophilically equivalent branched acyl chains display high affinity for protein kinase C (PK-C). A direct measure of the effect of constraining the glycerol backbone in DAG lactones.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2gf0t0c
title: BindingDB Entry 50015603: Design and synthesis of (E)-1,1,2-triarylethenes: novel inhibitors of the cyclooxygenase-2 (COX-2) isozyme.

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/q2gx49w5
title: BindingDB Entry 50011922: Structure-based design of novel potent nonpeptide thrombin inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin II, and Vitamin K-dependent protein C, Uniprot P00734, P00742, P00747, P00750, P04070, P07477, and P07478
DOI: 10.7270/q2h131np
title: BindingDB Entry 50017530: Novel HIV-1 integrase inhibitors derived from quinolone antibiotics.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2jq10f1
title: BindingDB Entry 50013956: Catechol-substituted L-chicoric acid analogues as HIV integrase inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2m61jr4
title: BindingDB Entry 50015601: Optimization of CRF1R binding affinity of 2-(2,4,6-trichlorophenyl)-4-trifluoromethyl-5-aminomethylthiazoles through rapid and selective parallel synthesis.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2mp52mw
title: BindingDB Entry 50011919: Bivalent inhibition of beta-tryptase: distance scan of neighboring subunits by dibasic inhibitors.

description: Small molecule binding data for protein Tryptase, Uniprot Q15661,P20231
DOI: 10.7270/q2ms3scq
title: BindingDB Entry 50017528: Selective irreversible inhibition of fructose 1,6-bisphosphate aldolase from Trypanosoma brucei.

description: Small molecule binding data for protein Fructose-bisphosphate aldoloase, glycosomal, Uniprot P07752
DOI: 10.7270/q2ng4q10
title: BindingDB Entry 50013971: Stable analogues of geranylgeranyl diphosphate possessing improved geranylgeranyl versus farnesyl protein transferase inhibitory selectivity.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT) Chain B, Uniprot P49354, P49356, and P53609
DOI: 10.7270/q2pg1r4x
title: BindingDB Entry 50013949: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot O77636, P03956, P08253, and P14780
DOI: 10.7270/q2qz29gj
title: BindingDB Entry 50015595: Identification of a novel class of androgen receptor antagonists based on the bicyclic-1H-isoindole-1,3(2H)-dione nucleus.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2rf5tb7
title: BindingDB Entry 50011916: Novel N-[1-(1-substituted 4-piperidinylmethyl)-4-piperidinyl]benzamides as potent colonic prokinetic agents.

description: Small molecule binding data for protein HTR4, Uniprot O70528
DOI: 10.7270/q2rj4j20
title: BindingDB Entry 50017524: Synthesis of a potent 5'-methylthioadenosine/S-adenosylhomocysteine (MTAN) inhibitor.

description: Small molecule binding data for protein Methylthioadenosine Nucleosidase(MTAN), Uniprot P0AF12
DOI: 10.7270/q2t72gv7
title: BindingDB Entry 50013948: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 1: lead identification.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot O77636, P03956, P08253, and P14780
DOI: 10.7270/q2v9879f
title: BindingDB Entry 50009727: Parallel synthesis of a library of 1,4-naphthoquinones and automated screening of potential inhibitors of trypanothione reductase from Trypanosoma cruzi.

description: Small molecule binding data for protein Trypanothione reductase, Uniprot P28593
DOI: 10.7270/q2vq3268
title: BindingDB Entry 50015594: Saucerneol B derivatives as human acyl-CoA: cholesterol acyltransferase inhibitors.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q2w37vn7
title: BindingDB Entry 50011911: Identification of a novel, orally bioavailable histamine H(3) receptor antagonist based on the 4-benzyl-(1H-imidazol-4-yl) template.

description: Small molecule binding data for protein HRH3, Uniprot Q9JI35
DOI: 10.7270/q2w66kc0
title: BindingDB Entry 50017521: Studies on the novel alpha-glucosidase inhibitory activity and structure-activity relationships for andrographolide analogues.

description: Small molecule binding data for protein Maltase-glucoamylase, Uniprot O43451
DOI: 10.7270/q2z037kz
title: BindingDB Entry 50013946: B-ring unsaturated estrogens: biological evaluation of 17alpha-Dihydroequilein and novel B-Nor-6-thiaequilenins as tissue selective estrogens.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q20001dd
title: BindingDB Entry 50011930: 5'-Deoxy congeners of 9-(3-amido-3-deoxy-beta-D-xylofuranosyl)-N(6)-cyclopentyladenine: new adenosine A(1) receptor antagonists and inverse agonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a) and Adenosine receptor A1, Uniprot P25099, P30542, and P30543
DOI: 10.7270/q20001qf
title: BindingDB Entry 50017538: Discovery of protein phosphatase 2C inhibitors by virtual screening.

description: Small molecule binding data for protein Protein phosphatase 2C alpha and Serine/threonine protein phosphatase PP2B-alpha catalytic subunit, Uniprot P16298 and P35813
DOI: 10.7270/q20r9nt7
title: BindingDB Entry 50013988: N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2280737
title: BindingDB Entry 50015626: A screening library for peptide activated G-protein coupled receptors. 1. The test set.

description: Small molecule binding data for protein GPR24
DOI: 10.7270/q22r3qz6
title: BindingDB Entry 50011942: Structure-activity relationships for mini atrial natriuretic peptide by proline-scanning mutagenesis and shortening of peptide backbone.

description: Small molecule binding data for protein Atrial natriuretic peptide receptor, Uniprot P16066
DOI: 10.7270/q23n22q3
title: BindingDB Entry 50011926: Identification of nonpeptidic urotensin II receptor antagonists by virtual screening based on a pharmacophore model derived from structure-activity relationships and nuclear magnetic resonance studies on urotensin II.

description: Small molecule binding data for protein Urotensin II receptor, Uniprot Q9UKP6
DOI: 10.7270/q23r0sgx
title: BindingDB Entry 50017536: Discovery of a novel nonphosphorylated pentapeptide motif displaying high affinity for Grb2-SH2 domain by the utilization of 3'-substituted tyrosine derivatives.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q24j0djh
title: BindingDB Entry 50013985: Duloxetine (Cymbalta), a dual inhibitor of serotonin and norepinephrine reuptake.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2610zsq
title: BindingDB Entry 50015624: 4-{(2R)-[3-Aminopropionylamido]-3-(2,4-dichlorophenyl)propionyl}-1-{2-[(2-thienyl)ethylaminomethyl]phenyl}piperazine as a potent and selective melanocortin-4 receptor antagonist--design, synthesis, and characterization.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q26d5sbh
title: BindingDB Entry 50011940: Synthesis of a molecular mimic of the Glc1Man9 oligoside as potential inhibitor of calnexin binding to DeltaF508 CFTR protein.

description: Small molecule binding data for protein Calnexin, Uniprot P27824
DOI: 10.7270/q26h4h0c
title: BindingDB Entry 50017553: (R)-sila-venlafaxine: a selective noradrenaline reuptake inhibitor for the treatment of emesis.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q27h1j6n
title: BindingDB Entry 50017534: Pyrazolo[3,4-d]pyrimidines as potent antiproliferative and proapoptotic agents toward A431 and 8701-BC cells in culture via inhibition of c-Src phosphorylation.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q289159p
title: BindingDB Entry 50013983: Tripeptidyl-peptidase II (TPP II) inhibitory activity of (S)-2,3-dihydro-2-(1H-imidazol-2-yl)-1H-indoles, a systematic SAR evaluation. Part 2.

description: Small molecule binding data for protein Tripeptidyl aminopeptidase, Uniprot Q64560
DOI: 10.7270/q29p3153
title: BindingDB Entry 50015622: Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C19 and Cytochrome P450 2C9, Uniprot P11712 and P33261
DOI: 10.7270/q2b56j27
title: BindingDB Entry 50011938: Synthesis of N-[4-[1-ethyl-2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid as an antifolate.

description: Small molecule binding data for protein Dihydrofolate reductase, Dihydrofolate reductase (DHFR), and Thymidylate synthase, Uniprot P00374, P04818, and Q07422
DOI: 10.7270/q2b857qp
title: BindingDB Entry 50017550: Stereochemical sensitivity of the human UDP-glucuronosyltransferases 2B7 and 2B17.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 2B17 and Uridine-5'-diphosphoglucuronosyltransferase 2B7, Uniprot O75795 and P16662
DOI: 10.7270/q2d21x2g
title: BindingDB Entry 50013974: Binding of beta-carbolines at 5-HT(2) serotonin receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Imidazoline receptor 1 (I1R), SLC6A3, Serotonin (5-HT) receptor, Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor 2a and 2c (5HT2A and 5HT2C), and Sodium-dependent noradrenaline transporter, Uniprot O95264, P07550, P08588, P08908, P08909, P08913, P14842, P18089, P18825, P23975, P27922, P28221, P28222, P28335, P31645, P34969, P35348, P35368, P46098, P47898, P50406, Q4W594, and Q9Y2I1
DOI: 10.7270/q2ff3rvk
title: BindingDB Entry 50015620: Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2fx78s7
title: BindingDB Entry 50011935: Synthesis and biological evaluation of structurally highly modified analogues of the antimitotic natural product curacin A.

description: Small molecule binding data for protein Tubulin, Uniprot P02550
DOI: 10.7270/q2g160fd
title: BindingDB Entry 50017549: Incorporation of the unusual C(alpha)-fluoroalkylamino acids into cyclopeptides: synthesis of arginine-glycine-aspartate (RGD) analogues and study of their conformational and biological behavior.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P06756, and P18084
DOI: 10.7270/q2ht2nr1
title: BindingDB Entry 50013972: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1D, Uniprot P28221
DOI: 10.7270/q2k64hjv
title: BindingDB Entry 50015617: Novel retinoic acid metabolism blocking agents endowed with multiple biological activities are efficient growth inhibitors of human breast and prostate cancer cells in vitro and a human breast tumor xenograft in nude mice.

description: Small molecule binding data for protein Cytochrome CYP26A1, Retinoid X receptor gamma/retinoic acid receptor alpha, and Retinoid receptor, Uniprot O43174, P10276, and P10826