cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q20001rw
title: BindingDB Entry 50017970: Synthesis and evaluation of novel 1-(2-acylhydrazinocarbonyl)-cycloalkyl carboxamides as interleukin-1beta converting enzyme (ICE) inhibitors.

description: Small molecule binding data for protein Caspase-1, Caspase-3, and Caspase-8, Uniprot P29466, P42574, and Q14790
DOI: 10.7270/q2057ff6
title: BindingDB Entry 50016208: 6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid mimics active conformation of tyrosine in opioid peptides.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q20z72wd
title: BindingDB Entry 50017947: Discovery of protein-protein binding disruptors using multi-component condensations small molecules.

description: Small molecule binding data for protein Neuropilin-1, Uniprot O14786
DOI: 10.7270/q228079x
title: BindingDB Entry 50020525: 4-Amino-5-vinyl-3(2H)-pyridazinones and analogues as potent antinociceptive agents: Synthesis, SARs, and preliminary studies on the mechanism of action.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q22j6b8r
title: BindingDB Entry 50014529: The design, preparation and SAR of novel small molecule sodium (Na(+)) channel blockers.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6) and Sodium channel protein type I I alpha subunit, Uniprot P04774, P04775, P08104, and P10635
DOI: 10.7270/q23r0shc
title: BindingDB Entry 50017962: Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas' disease.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q23x8645
title: BindingDB Entry 50016207: Discovery of novel conformationally constrained tropane-based biaryl and arylacetylene ligands as potent and selective norepinephrine transporter inhibitors and potential antidepressants.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2611006
title: BindingDB Entry 50020509: Synthesis, SAR, and X-ray structure of novel potent DPPIV inhibitors: oxadiazolyl ketones.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q9UHL4
DOI: 10.7270/q2668cnn
title: BindingDB Entry 50014528: Macrocyclization in the design of non-phosphorus-containing Grb2 SH2 domain-binding ligands.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q27d2trg
title: BindingDB Entry 50017959: Amide-substituted farnesylcysteine analogs as inhibitors of human isoprenylcysteine carboxyl methyltransferase.

description: Small molecule binding data for protein Isoprenylcysteine carboxyl methyltransferase, Uniprot O60725
DOI: 10.7270/q27p8xwj
title: BindingDB Entry 50016205: 1-((S)-gamma-substituted prolyl)-(S)-2-cyanopyrrolidine as a novel series of highly potent DPP-IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase IV, Uniprot P14740 and P27487
DOI: 10.7270/q29p31cs
title: BindingDB Entry 50020508: Synthesis and biological evaluation of 9-deazaguanine derivatives connected by a linker to difluoromethylene phosphonic acid as multi-substrate analogue inhibitors of PNP.

description: Small molecule binding data for protein Purine Nucleoside Phosphorylase (PNP) and Purine nucleoside phosphorylase, Uniprot P00491 and P55859
DOI: 10.7270/q29z94bm
title: BindingDB Entry 50014525: Design, synthesis, and biological activity of 1,3-disubstituted ureas as potent inhibitors of the soluble epoxide hydrolase of increased water solubility.

description: Small molecule binding data for protein Epoxide hydratase and Soluble epoxide hydrolase (sEH), Uniprot P34913 and P34914
DOI: 10.7270/q2c53kfr
title: BindingDB Entry 50017958: Arylpropionylpiperazines as antagonists of the human melanocortin-4 receptor.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P33032, and P41968
DOI: 10.7270/q2cf9pm8
title: BindingDB Entry 50016204: Selective PPARgamma modulators with improved pharmacological profiles.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Peroxisome proliferator-activated receptor, Uniprot P11712 and P37231
DOI: 10.7270/q2dr2txq
title: BindingDB Entry 50014540: Synthesis of fluorinated cyclopentenyladenine as potent inhibitor of S-adenosylhomocysteine hydrolase.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2ff3s2p
title: BindingDB Entry 50020507: Pyrrolidinones as orally bioavailable antagonists of the human melanocortin-4 receptor with anti-cachectic activity.

description: Small molecule binding data for protein Ghrelin receptor, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P33032, P41968, P56450, P70596, and Q92847
DOI: 10.7270/q2fq9w1h
title: BindingDB Entry 50014519: Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q2gx4b55
title: BindingDB Entry 50017956: Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2h70fbj
title: BindingDB Entry 50016202: Convergent synthesis and pharmacology of substituted tetrazolyl-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid analogues.

description: Small molecule binding data for protein GRIA1, GRIA2, GRIK1, Glutamate receptor ionotropic AMPA, Glutamate receptor ionotropic, kainate, and Grik2, Uniprot P39086, P42261, P42262, P42263, P42264, P48058, and Q13002
DOI: 10.7270/q2k64hs0
title: BindingDB Entry 50020505: Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors.

description: Small molecule binding data for protein GABA receptor alpha-2/beta-2/gamma-2 subunit and GABA receptor beta-3 subunit, Uniprot P18507, P28472, P47869, and P47870
DOI: 10.7270/q2m044zx
title: BindingDB Entry 50016216: Uracils as potent antagonists of the human gonadotropin-releasing hormone receptor without atropisomers.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q2mp52wg
title: BindingDB Entry 50017953: Triazolo-tetrahydrofluorenones as selective estrogen receptor beta agonists.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2n01628
title: BindingDB Entry 50016201: 1,5-Diarylpyrrole-3-acetic acids and esters as novel classes of potent and highly selective cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437 and Q05769
DOI: 10.7270/q2nz87bk
title: BindingDB Entry 50020532: Structure-based design of flavonoid compounds as a new class of small-molecule inhibitors of the anti-apoptotic Bcl-2 proteins.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl2-antagonist of cell death (BAD), and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07820, and Q92934
DOI: 10.7270/q2p84b98
title: BindingDB Entry 50014537: N,N-Dialkylated 4-(4-arylsulfonylpiperazine-1-carbonyl)-benzamidines and 4-((4-arylsulfonyl)-2-oxo-piperazin-1-ylmethyl)-benzamidines as potent factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Kallikrein-1 (KLK1), Plasmin, Prothrombin, Tissue-type plasminogen activator, Trypsin-1, and Vitamin K-dependent protein C, Uniprot P00734, P00742, P00750, P04070, P06870, P07477, and Q01177
DOI: 10.7270/q2pz58jv
title: BindingDB Entry 50020500: Synthesis and biological evaluation of 4'-(6,7-disubstituted-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-biphenyl-4-ol as potent Chk1 inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2rf5tn8
title: BindingDB Entry 50017950: Synthesis of biotinylated photoaffinity probes based on arylsulfonamide gamma-secretase inhibitors.

description: Small molecule binding data for protein Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2, Uniprot P49768, P49810, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q2sq903r
title: BindingDB Entry 50020531: Synthesis and biological evaluation of 4(5)-(6-alkylpyridin-2-yl)imidazoles as transforming growth factor-beta type 1 receptor kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Serine/threonine-protein kinase D1, and TGF-beta receptor type I, Uniprot P36897, Q15139, and Q16539
DOI: 10.7270/q2t1532f
title: BindingDB Entry 50014534: N-Benzoyl amino acids as ICAM/LFA-1 inhibitors. Part 2: structure-activity relationship of the benzoyl moiety.

description: Small molecule binding data for protein Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha, Uniprot P05362 and P20701
DOI: 10.7270/q2tq618k
title: BindingDB Entry 50020498: Primary amides as selective inhibitors of cathepsin K.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P07858, P25774, and P43235
DOI: 10.7270/q2v12478
title: BindingDB Entry 50014512: Orally bioavailable competitive CCR5 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2w66kdf
title: BindingDB Entry 50017949: Design and synthesis of potent and selective 1,3,4-trisubstituted-2-oxopiperazine based melanocortin-4 receptor agonists.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P41968, and Q01726
DOI: 10.7270/q2wd403p
title: BindingDB Entry 50016194: Symmetrical bis-quinolinium compounds: new human choline kinase inhibitors with antiproliferative activity against the HT-29 cell line.

description: Small molecule binding data for protein Choline kinase alpha, Uniprot P35790
DOI: 10.7270/q2xg9qv4
title: BindingDB Entry 50020529: Bidirectional, iterative approach to the structural delineation of the functional"chemoprint" in GPR40 for agonist recognition.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2xs5tth
title: BindingDB Entry 50014532: Biaryl amide glucagon receptor antagonists.

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q2183660
title: BindingDB Entry 50020546: Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Prothrombin, Uniprot P00734 and P00742
DOI: 10.7270/q21j997q
title: BindingDB Entry 50014544: N-alkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, micro and delta opioid agonists: a micro address.

description: Small molecule binding data for protein Delta-type opioid receptor and Mu-type opioid receptor, Uniprot P35372 and P41143
DOI: 10.7270/q22r3r93
title: BindingDB Entry 50017986: Synthesis and monoamine transporter affinity of front bridged tricyclic 3beta-(4'-halo or 4'-methyl)phenyltropanes bearing methylene or carbomethoxymethylene on the bridge to the 2beta-position.

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/q22z1527
title: BindingDB Entry 50016220: A potent and selective nonpeptide antagonist of the melanocortin-4 receptor induces food intake in satiated mice.

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/q2513xxx
title: BindingDB Entry 50020543: Discovery of a new nucleoside template for human A3 adenosine receptor ligands: D-4'-thioadenosine derivatives without 4'-hydroxymethyl group as highly potent and selective antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q25b01x4
title: BindingDB Entry 50014543: N,N-dialkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, potent, selective delta opioid agonists.

description: Small molecule binding data for protein Delta-type opioid receptor and Mu-type opioid receptor, Uniprot P35372 and P41143
DOI: 10.7270/q26h4h1t
title: BindingDB Entry 50017984: High affinity inhibitors of the dopamine transporter (DAT): novel biotinylated ligands for conjugation to quantum dots.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter, Uniprot Q01959
DOI: 10.7270/q26q1wrq
title: BindingDB Entry 50016219: Design, new synthesis, and calcilytic activity of substituted 3H-pyrimidin-4-ones.

description: Small molecule binding data for protein Calcium-sensing receptor (CaSR), Uniprot P41180
DOI: 10.7270/q2833rgn
title: BindingDB Entry 50014552: Potent small molecule CCR1 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 1, Uniprot P32246
DOI: 10.7270/q28s4pmw
title: BindingDB Entry 50020537: Novel selective PPARdelta agonists: optimization of activity by modification of alkynylallylic moiety.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q290237j
title: BindingDB Entry 50014541: Synthesis and phosphodiesterase 5 inhibitory activity of new sildenafil analogues containing a phosphonate group in the 5(')-sulfonamide moiety of phenyl ring.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2b56jc8
title: BindingDB Entry 50017981: Synthesis of novel keto-ACE analogues as domain-selective angiotensin I-converting enzyme inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821 and P12822
DOI: 10.7270/q2bg2nhw
title: BindingDB Entry 50016218: 4-Alkyl and 4,4'-dialkyl 1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione derivatives as new inhibitors of bacterial cell wall biosynthesis.

description: Small molecule binding data for protein MurA (E. coli), MurB (E. coli), and MurB (S. aureus), Uniprot P08373, P0A749, and P61431
DOI: 10.7270/q2cv4h5m
title: BindingDB Entry 50014551: The discovery of structurally novel CCR1 antagonists derived from a hydroxyethylene peptide isostere template.

description: Small molecule binding data for protein C-C chemokine receptor type 1 and Renin, Uniprot P08424 and P32246
DOI: 10.7270/q2df6qxw
title: BindingDB Entry 50020535: 5(Z)-benzylidene-1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-1-aza-6-oxa-chrysenes as non-steroidal glucocorticoid receptor modulators.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q2fx7927
title: BindingDB Entry 50017976: 3-Aryl-4-hydroxyquinolin-2(1H)-one derivatives as type I fatty acid synthase inhibitors.

description: Small molecule binding data for protein Fatty acid synthase and Fatty acid synthase (FAS), Uniprot P12785 and P49327
DOI: 10.7270/q2g73d7m
title: BindingDB Entry 50016217: Lactams as prostanoid receptor ligands. Part 4: 2-Piperidones as selective EP4 receptor agonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P35408
DOI: 10.7270/q2j67gm5
title: BindingDB Entry 50020534: Design and synthesis of highly potent and selective human peroxisome proliferator-activated receptor alpha agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2jh3kkj
title: BindingDB Entry 50014539: Design, synthesis, and SAR of 2-dialkylamino-4-arylpyrimidines as potent and selective corticotropin-releasing factor(1) (CRF(1)) receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2kp81sj
title: BindingDB Entry 50017975: Synthesis and molecular modeling of a lisinopril-tryptophan analogue inhibitor of angiotensin I-converting enzyme.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2n01662
title: BindingDB Entry 50020557: Human serum albumin binding assay based on displacement of a non selective fluorescent inhibitor.

description: Small molecule binding data for protein Serum albumin, Uniprot P02768
DOI: 10.7270/q2n8797s
title: BindingDB Entry 50014548: Imidazole acetic acid TAFIa inhibitors: SAR studies centered around the basic P(1)(') group.

description: Small molecule binding data for protein Thrombin-activable fibrinolysis inhibitor (TAFIa) and Thrombin-activatable fibrinolysis (TAFI), Uniprot P15086 and Q96IY4
DOI: 10.7270/q2qf8shw
title: BindingDB Entry 50017972: Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2qr4wpz
title: BindingDB Entry 50016214: Structure-based design of protein tyrosine phosphatase-1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2rr1xxp
title: BindingDB Entry 50020553: New sst4/5-selective somatostatin peptidomimetics based on a constrained tryptophan scaffold.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2s181z3
title: BindingDB Entry 50014547: Didehydrofarnesyl diphosphate: an intrinsically fluorescent inhibitor of protein farnesyltransferase.

description: Small molecule binding data for protein Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit, Uniprot P22007 and P29703
DOI: 10.7270/q2th8m7v
title: BindingDB Entry 50016227: 5-Lipoxygenase inhibitors: convenient synthesis of 4-[3-(4-heterocyclylphenylthio)phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide analogues.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2v69j7m
title: BindingDB Entry 50017971: Benzimidazole-2-carboxamides as novel NR2B selective NMDA receptor antagonists.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot Q00960
DOI: 10.7270/q2vh5nc7
title: BindingDB Entry 50016210: Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2wh2ppv
title: BindingDB Entry 50020549: Design of novel histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2ws8sqk
title: BindingDB Entry 50014545: Synthesis and monoamine transporter affinity of 3'-analogs of 2-beta-carbomethoxy-3-beta-(4'-iodophenyl)tropane (beta-CIT).

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P23977, P31645, P31652, and Q01959
DOI: 10.7270/q2z037sn
title: BindingDB Entry 50017988: A thienopyridazinone-based melanin-concentrating hormone receptor 1 antagonist with potent in vivo anorectic properties.

description: Small molecule binding data for protein GPR24, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Voltage-gated potassium channel, Uniprot P11229, P20309, and Q12809
DOI: 10.7270/q2z89bxq
title: BindingDB Entry 50016221: Discovery of 4-(dimethylamino)quinazolines as potent and selective antagonists for the melanin-concentrating hormone receptor 1.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Melanin-concentrating hormone receptor, and Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot P08913, Q15761, and Q99705
DOI: 10.7270/q2086515
title: BindingDB Entry 50020564: Design, synthesis, and biological evaluation of LNA nucleosides as adenosine A3 receptor ligands.

description: Small molecule binding data for protein Adenosine receptor A1 and Adenosine receptor A3, Uniprot P0DMS8 and P30542
DOI: 10.7270/q20k2810
title: BindingDB Entry 50014557: Structure-activity relationships of novel inhibitors of glyceraldehyde-3-phosphate dehydrogenase.

description: Small molecule binding data for protein Glyceraldehyde-3-phosphate dehydrogenase liver, Uniprot P04406
DOI: 10.7270/q21r6q48
title: BindingDB Entry 50018002: Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives.

description: Small molecule binding data for protein Calpain 2 and Calpain1/2, Uniprot P07384 and P43367
DOI: 10.7270/q2222t86
title: BindingDB Entry 50016252: Total asymmetric synthesis of (-)-conduramine B-1 and of its enantiomer. N-Benzyl derivatives of conduramine B-1 are beta-glucosidase inhibitors.

description: Small molecule binding data for protein Beta-glucosidase A, Uniprot P10482
DOI: 10.7270/q2416wsj
title: BindingDB Entry 50020562: Synthesis and pharmacological testing of polyaminoquinolines as blockers of the apamin-sensitive Ca2+-activated K+ channel (SK(Ca)).

description: Small molecule binding data for protein Small conductance calcium-activated potassium channel protein 3, Uniprot P70605
DOI: 10.7270/q24b30sr
title: BindingDB Entry 50014553: Novel CCR1 antagonists with improved metabolic stability.

description: Small molecule binding data for protein C-C chemokine receptor type 1, Uniprot P32246
DOI: 10.7270/q25h7fw1
title: BindingDB Entry 50018001: 4-amido-2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-ones as new potent and selective human A3 adenosine receptor antagonists. synthesis, pharmacological evaluation, and ligand-receptor modeling studies.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P28190, P29274, P29275, and P30542