cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2862fgk
title: BindingDB Entry 50004933: Structure--activity relationships of sialyl Lewis x-containing oligosaccharides. 1. Effect of modifications of the fucose moiety.

description: Small molecule binding data for protein Selectin E, Uniprot P16581
DOI: 10.7270/q28c9v30
title: BindingDB Entry 7896: Design, synthesis, and biological evaluation of pyrimidine derivatives as potential inhibitors of human calcium/calmodulin-dependent protein kinase IV.

description: Small molecule binding data for protein Calcium/calmodulin- dependent protein kinase IV (CAMKIV)
DOI: 10.7270/q28w3c7w
title: BindingDB Entry 8581: Pyridine derivatives

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q28w3cfk
title: BindingDB Entry 50007410: Identification and initial structure-activity relationships of a novel class of nonpeptide inhibitors of blood coagulation factor Xa.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin II, Uniprot P00734, P00742, P07477, and P07478
DOI: 10.7270/q2c53jqx
title: BindingDB Entry 7903: Non-steroidal Anti-inflammatory Drugs Are Caspase Inhibitors.

description: Small molecule binding data for protein Caspase-1, Caspase-3, Caspase-4, Caspase-5, and Caspase-9, Uniprot P29466, P42574, P49662, P51878, and P55211
DOI: 10.7270/q2cz365j
title: BindingDB Entry 50004931: Aza-tricyclic substance P antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2dn4402
title: BindingDB Entry 8580: Hydroxyindole carboxylic acid based inhibitors for oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2)

description: Small molecule binding data for protein CTD phosphatase SSU72, Dual specificity protein phosphatase (VHR), Dual specificity protein phosphatase 23 (VHZ), Dual specificity protein phosphatase CDC14A, Hematopoietic protein-tyrosine phosphatase (HEPTP), Laforin, Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Mitogen-activated protein kinase phosphatase 5 (MKP5), Nuclear proteasome inhibitor UBLCP1, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase D (PTPd), Protein-tyrosine phosphatase alpha, Protein-tyrosine phosphatase pez, Receptor-type tyrosine-protein phosphatase epsilon (PTPε), Receptor-type tyrosine-protein phosphatase gamma (PTPγ), Receptor-type tyrosine-protein phosphatase mu (PTPμ), Serine/threonine-protein phosphatase 2A activator, Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2), Tyrosine-protein phosphatase non-receptor type 22, Tyrosine-protein phosphatase non-receptor type 3 (PTPH1), and Tyrosine-protein phosphatase non-receptor type 5 isoform a, Uniprot O15357, O95278, P18031, P18433, P23469, P23470, P24666, P26045, P28827, P29350, P35236, P51452, P54829, P58389, Q15678, Q16825, Q8WVY7, Q9BVJ7, Q9NP77, Q9UNH5, Q9Y2R2, and Q9Y6W6
DOI: 10.7270/q2dn4459
title: BindingDB Entry 50007409: Specificity of diastereomers of [99mTc]TRODAT-1 as dopamine transporter imaging agents.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2dz079x
title: BindingDB Entry 50004909: Design and synthesis of conformationally constrained analogues of 4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one (Ro 20-1724) as potent inhibitors of cAMP-specific phosphodiesterase.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2jd4vq0
title: BindingDB Entry 8579: Pyrazine derivatives as CB2 receptor agonists

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2jd4vw7
title: BindingDB Entry 50007408: Design, synthesis, and biological evaluation of conformationally constrained aci-reductone mimics of arachidonic acid.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Prostaglandin G/H synthase (Cyclooxygenase-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P12527, and P79208
DOI: 10.7270/q2mp5252
title: BindingDB Entry 7901: Small-Molecule Inhibitors of the SOX18 Transcription Factor.

description: Small molecule binding data for protein Transcription factor SOX-18 (SOX-18), Uniprot P43680
DOI: 10.7270/q2n58k9b
title: BindingDB Entry 8586: Benzimidazole tetrahydropyran derivatives

description: Small molecule binding data for protein 5'-AMP-activated protein kinase Complex 1 and AMPK alpha2/beta1/gamma1, Uniprot P54619, P54646, Q13131, and Q9Y478
DOI: 10.7270/q2ng4pnn
title: BindingDB Entry 50004928: Comparison of the conformation of active and nonactive backbone cyclic analogs of substance P as a tool to elucidate features of the bioactive conformation: NMR and molecular dynamics in DMSO and water.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, and Neurokinin 3 receptor, Uniprot P21452, P25103, and P29371
DOI: 10.7270/q2p26x39
title: BindingDB Entry 8578: Pyrazole compounds as CB2 agonists

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2p55mmz
title: BindingDB Entry 50007407: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-N-(3',5'- bis(trifluoromethyl)phenyl)-carboxamide: a potent inhibitor of NF-kappa B- and AP-1-mediated gene expression identified using solution-phase combinatorial chemistry.

description: Small molecule binding data for protein Activating transcription factor 1 and Nuclear factor NF-kappa-B (NF-kB), Uniprot P18846 and P19838
DOI: 10.7270/q2rf5sxf
title: BindingDB Entry 7900: An Unusual Protector-Protégé Strategy for the Biosynthesis of Purine Nucleoside Antibiotics.

description: Small molecule binding data for protein Adenosine deaminase 3 (SanADA3)
DOI: 10.7270/q2rv0mn1
title: BindingDB Entry 8585: 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment

description: Small molecule binding data for protein FLAG-Glucokinase (GK), Uniprot P35557
DOI: 10.7270/q2rx9b60
title: BindingDB Entry 50007418: A1 adenosine receptor antagonists as ligands for positron emission tomography (PET) and single-photon emission tomography (SPET).

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot P28190
DOI: 10.7270/q2s75fcc
title: BindingDB Entry 50004923: Identification of L-tryptophan derivatives with potent and selective antagonist activity at the NK1 receptor.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, and Neurokinin 3 receptor, Uniprot P14600, P21452, P25103, and P29371
DOI: 10.7270/q2sx6cbc
title: BindingDB Entry 50007403: 1,2,5-Thiadiazole analogues of aceclidine as potent m1 muscarinic agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482 and P11229
DOI: 10.7270/q2w66jn5
title: BindingDB Entry 7899: Compounds and uses

description: Small molecule binding data for protein Leukotriene C4 synthase, Uniprot Q16873
DOI: 10.7270/q2wm1cb9
title: BindingDB Entry 8584: Azole derivative

description: Small molecule binding data for protein Vasopressin V1b receptor, Uniprot P47901
DOI: 10.7270/q2wq02xv
title: BindingDB Entry 50007417: 29-Methylidene-2,3-oxidosqualene derivatives as stereospecific mechanism-based inhibitors of liver and yeast oxidosqualene cyclase.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449 and P48450
DOI: 10.7270/q2x0662n
title: BindingDB Entry 50004919: Resolution, absolute stereochemistry, and pharmacology of the S-(+)- and R-(-)-isomers of the apparent partial AMPA receptor agonist (R,S)-2-amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid [(R,S)-APPA].

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q20000z5
title: BindingDB Entry 7907: 2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides

description: Small molecule binding data for protein Beta-secretase 1 (BACE1), Cytochrome P450 2D6 (2D6), and Voltage-gated potassium channel, Uniprot P10635 and Q12809
DOI: 10.7270/q20c4tq8
title: BindingDB Entry 8591: Sulfonamide derivative and medicinal use thereof

description: Small molecule binding data for protein Mucosal addressin cell adhesion molecule 1 (MAdCAM-1)/Alpha-4 Beta-7 Integrin and Vascular cell adhesion protein 1 (VCAM-1)/Alpha-4 Beta-1 Integrin, Uniprot P05556, P13612, P19320, P26010, and Q8R1M6 Q64275 Q61278 O35530 Q61826
DOI: 10.7270/q20g3j97
title: BindingDB Entry 50007437: Aminopyrimidines with high affinity for both serotonin and dopamine receptors.

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin (5-HT) receptor, Uniprot P14416, P19327, and P35462
DOI: 10.7270/q20r9nf9
title: BindingDB Entry 50004943: Inhibition of peptidylglycine alpha-amidating monooxygenase by N-substituted homocysteine analogs.

description: Small molecule binding data for protein Peptidyl-glycine alpha-amidating monooxygenase, Uniprot P14925
DOI: 10.7270/q23n2288
title: BindingDB Entry 7905: Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.

description: Small molecule binding data for protein Egl nine homolog 1, Histone Lysine Demethylase, Histone demethylase JARID1A, Histone lysine demethylase MINA (MINA), Histone lysine demethylase NO66 (NO66), Hypoxia-inducible factor 1 (FIH), Lysine-specific demethylase 2A, Lysine-specific demethylase 3A, Lysine-specific demethylase 3B (KDM3B), Lysine-specific demethylase 4A (KDM4A), Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 5B (KDM5Flag-5B-FL), Lysine-specific demethylase 5C, Lysine-specific demethylase 5D (KDM5D), Lysine-specific demethylase 6B (KDM6B), and Lysine-specific demethylase 7B (KDM7B), Uniprot B2RXH2, I3VM53, O15054, O75164, P29375, P41229, Q7LBC6, Q8IUF8, Q9BY66, Q9GZT9, Q9H3R0, Q9H6W3, Q9NWT6, Q9UGL1, Q9UPP1, Q9Y2K7, and Q9Y4C1
DOI: 10.7270/q2445kdj
title: BindingDB Entry 8590: Materials and method for inhibiting replication protein A and uses thereof

description: Small molecule binding data for protein Replication protein A 70 kDa DNA-binding subunit, Uniprot P27694
DOI: 10.7270/q247491z
title: BindingDB Entry 50007432: Potent and selective ligands for the dopamine transporter (DAT): structure-activity relationship studies of novel 4-[2-(diphenylmethoxy)ethyl]-1-(3-phenylpropyl)piperidine analogues.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q24j0d44
title: BindingDB Entry 50004941: Importance of parallel vectors and"hydrophobic collapse" of the aligned aromatic rings: discovery of a potent substance P antagonist.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q27w6b4z
title: BindingDB Entry 8589: Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q28051r8
title: BindingDB Entry 50007431: alpha-Substituted malonester amides: tools to define the relationship between ACAT inhibition and adrenal toxicity.

description: Small molecule binding data for protein Carboxylesterase 1 and Sterol O-acyltransferase, Soat, Uniprot O70536 and P12337
DOI: 10.7270/q2bz6532
title: BindingDB Entry 50004955: Thiadiazole derivatives: highly potent and specific HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2cn72v8
title: BindingDB Entry 8588: HSPC-sparing treatments for RB-positive abnormal cellular proliferation

description: Small molecule binding data for protein CDK2/CycE, CDK2/Cyclin A1, and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, P24941, and P78396
DOI: 10.7270/q2cr5sg9
title: BindingDB Entry 50007429: Novel 3-aralkyl-7-(amino-substituted)-1,2,3-triazolo[4,5-d]pyrimidines with high affinity toward A1 adenosine receptors.

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot P28190
DOI: 10.7270/q2fx789z
title: BindingDB Entry 7911: Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2gf0sg7
title: BindingDB Entry 50000006: Discovery of a potent substance P antagonist: recognition of the key molecular determinant.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2gq6wsj
title: BindingDB Entry 50004954: Novel inhibitors of potassium ion channels on human T lymphocytes.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot P22001
DOI: 10.7270/q2gx49fb
title: BindingDB Entry 7902: Potent and Selective EphA4 Agonists for the Treatment of ALS.

description: Small molecule binding data for protein Ephrin type-A receptor 3 ligand binding domain (EphA3-LBD), Ephrin type-A receptor 4 ligand binding domain (D61G/E62G-EphA4-LBD), Ephrin type-A receptor 4 ligand binding domain (EphA4-LBD), Ephrin type-A receptor 4 ligand binding domain (I159A-EphA4-LBD), Ephrin type-A receptor 4 ligand binding domain (I59A-EphA4-LBD), Ephrin type-A receptor 4 ligand binding domain (I59G-EphA4-LBD), Ephrin type-A receptor 4 ligand binding domain (I67A-EphA4-LBD), Ephrin type-A receptor 4 ligand binding domain (M164A-EphA4-LBD), and Ephrin type-A receptor 4 ligand binding domain (M60A-EphA4-LBD)
DOI: 10.7270/q2hd7tm2
title: BindingDB Entry 8587: Pyrrole six-membered heteroaryl ring derivative, preparation method thereof, and medicinal uses thereof

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2hd7ts9
title: BindingDB Entry 50007425: Highly selective and orally active inhibitors of type IV collagenase (MMP-9 and MMP-2): N-sulfonylamino acid derivatives.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Collagenase, Endothelin-converting enzyme 1 (ECE1), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-7 (MMP7), Neutral Endopeptidase (NEP), and Stromelysin-1, Uniprot P03956, P07861, P08253, P08254, P09237, P12821, P14780, and P42892
DOI: 10.7270/q2hq3xxx
title: BindingDB Entry 50004929: Synthesis of naphthalenesulfonic acid small molecules as selective inhibitors of the DNA polymerase and ribonuclease H activities of HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease and Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2kp811p
title: BindingDB Entry 7910: Compositions and methods for treating neoplasia, inflammatory disease and other disorders

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2m61j7d
title: BindingDB Entry 8594: 7-hydroxy-indolinyl antagonists of P2Y1 receptor

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P47900
DOI: 10.7270/q2m61jdn
title: BindingDB Entry 50007445: Inhibitors of farnesyl protein transferase. 4-Amido, 4-carbamoyl, and 4-carboxamido derivatives of 1-(8-chloro-6,11-dihydro-5H-benzo[5,6]- cyclohepta[1,2-b]pyridin-11-yl)piperazine and 1-(3-bromo-8-chloro-6,11- dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperazine.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356 and Q04631
DOI: 10.7270/q2mg7njq
title: BindingDB Entry 50004951: Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 3. Dipyrido[2,3-b:2',3'-e]diazepinones.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2n58kgk
title: BindingDB Entry 50007422: Discovery of ritonavir, a potent inhibitor of HIV protease with high oral bioavailability and clinical efficacy.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2qf8rrm
title: BindingDB Entry 7909: Small molecule inhibitors of the pleckstrin homology domain and methods for using same

description: Small molecule binding data for protein 3-phosphoinositide-dependent protein kinase 1 (PDK1), Insulin receptor substrate 1 (IRS1), and RAC-alpha serine/threonine-protein kinase (Akt)
DOI: 10.7270/q2r78d8f
title: BindingDB Entry 50004947: Synthesis and biological evaluation of NK1 antagonists derived from L-tryptophan.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2v69hgb
title: BindingDB Entry 7908: Regulators of aldehyde dehydrogenase ALDH3A1 and related therapeutic methods

description: Small molecule binding data for protein Aldehyde dehydrogenase (ALDH2), Aldehyde dehydrogenase 1A1 (ALDH1A1), and Aldehyde dehydrogenase 3A1 (ALDH3A1), Uniprot P00352, P05091, and P30838
DOI: 10.7270/q2vq31m7
title: BindingDB Entry 8592: Substituted pyrimidine-5-carboxamides as spleen tyrosine kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q2w09505
title: BindingDB Entry 50004945: Derivatives of cis-2-amino-8-hydroxy-1-methyltetralin: mixed 5-HT1A-receptor agonists and dopamine D2-receptor antagonists.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Serotonin (5-HT) receptor, Uniprot P14416 and P19327
DOI: 10.7270/q22r3qhc
title: BindingDB Entry 7914: Aminopyridine derived compounds as LRRK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) and Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)
DOI: 10.7270/q2348jb2
title: BindingDB Entry 50000015: Structure-function studies of peptides inhibiting the ribonucleotide reductase activity of herpes simplex virus type I.

description: Small molecule binding data for protein Ribonucleoside-diphosphate reductase RR1, Uniprot P23921
DOI: 10.7270/q23777vq
title: BindingDB Entry 50007457: Synthesis and pharmacological evaluation of ring-methylated derivatives of 3,4-(methylenedioxy)amphetamine (MDA).

description: Small molecule binding data for protein Norepinephrine Monoamine transporters and Sodium-dependent serotonin transporter, Uniprot P31652
DOI: 10.7270/q23j3c0r
title: BindingDB Entry 50004960: Anti-AIDS (acquired immune deficiency syndrome) agents. 17. New brominated hexahydroxybiphenyl derivatives as potent anti-HIV agents.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q26d5rvt
title: BindingDB Entry 7913: Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase

description: Small molecule binding data for protein N-acylethanolamine-hydrolyzing acid amidase (NAAA), Uniprot Q5KTC7
DOI: 10.7270/q26w9911
title: BindingDB Entry 50000012: Beta-proline analogues as agonists at the strychnine-sensitive glycine receptor.

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q27080kf
title: BindingDB Entry 50007456: Novel biologically active nonpeptidic inhibitors of myristoylCoA:protein N-myristoyltransferase.

description: Small molecule binding data for protein Myristoyl-CoA:protein N-myristoyltransferase (Nmt), Uniprot P30418
DOI: 10.7270/q27943pm
title: BindingDB Entry 50004956: Design and synthesis of novel inhibitors of HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2959gdq
title: BindingDB Entry 7920: Optimization of a direct spectrophotometric method to investigate the kinetics and inhibition of sialidases.

description: Small molecule binding data for protein Neuraminidase A (NanA), Neuraminidase B (NanB), and Neuraminidase C (NanC), Uniprot P62575
DOI: 10.7270/q29p30k2
title: BindingDB Entry 50000035: Stereospecificity of amino acid side chains in deltorphin defines binding to opioid receptors.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2b27t91
title: BindingDB Entry 50004975: Inhibition of uridine phosphorylase: synthesis and structure-activity relationships of aryl-substituted 5-benzyluracils and 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils.

description: Small molecule binding data for protein Uridine phosphorylase 1, Uniprot P52624
DOI: 10.7270/q2b56hkj
title: BindingDB Entry 7912: N-alkyltriazole compounds as LPAR antagonists

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1 (LPAR1) and Lysophosphatidic acid receptor 3 (LPAR3), Uniprot Q92633 and Q9UBY5
DOI: 10.7270/q2bp01rw
title: BindingDB Entry 50000009: Synthesis, characterization, and biological evaluation of a novel class of N-(arylethyl)-N-alkyl-2-(1-pyrrolidinyl)ethylamines: structural requirements and binding affinity at the sigma receptor.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Sigma, Uniprot P61169 and Q99720
DOI: 10.7270/q2br8r9g
title: BindingDB Entry 50007448: 2,4-Diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidine analogues of trimethoprim as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Dihydrofolate reductase (DHFR), Uniprot P16184, Q07422, and Q920D2
DOI: 10.7270/q2dz074p
title: BindingDB Entry 7919: Enzymatic activity and immunoreactivity of Aca s 4, an alpha-amylase allergen from the storage mite Acarus siro.

description: Small molecule binding data for protein α-Amylase group 4 allergen (Aca s 4), Uniprot B0KZK1
DOI: 10.7270/q2ff3r9d
title: BindingDB Entry 50000025: Novel inhibitors of prolyl 4-hydroxylase. 2. 5-Amide substituted pyridine-2-carboxylic acids.

description: Small molecule binding data for protein Hypoxia-inducible factor prolyl hydroxylase 4 (HIF), Uniprot Q9NXG6
DOI: 10.7270/q2fj2fxd
title: BindingDB Entry 50007471: New cyclooxygenase-2/5-lipoxygenase inhibitors. 2. 7-tert-butyl-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: variations of the dihydrobenzofuran ring.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Cyclooxygenase, and Cyclooxygenase-1 (COX-1), Uniprot P12527, P23219, and P35354
DOI: 10.7270/q2fq9vn5
title: BindingDB Entry 50004969: Effect of bridge region variation on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines.

description: Small molecule binding data for protein Dihydrofolate reductase, Thymidylate Synthase (TS), and Thymidylate synthase, Uniprot P00374, P00381, P00469, and P04818
DOI: 10.7270/q2gh9h2n
title: BindingDB Entry 50007447: Novel 17-azolyl steroids, potent inhibitors of human cytochrome 17 alpha-hydroxylase-C17,20-lyase (P450(17) alpha): potential agents for the treatment of prostate cancer.

description: Small molecule binding data for protein Cytochrome P450 17A1, Uniprot P05093 and P11715
DOI: 10.7270/q2jq0zvm
title: BindingDB Entry 7918: Tetracyclic CDK9 kinase inhibitors

description: Small molecule binding data for protein Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563 and P50750