cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27p8z3n
title: BindingDB Entry 50021240: Discovery of N-phenyl nicotinamides as potent inhibitors of Kdr.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q29g5mb2
title: BindingDB Entry 50016740: Diamino-C,N-diarylpyridine positional isomers as inhibitors of lysophosphatidic acid acyltransferase-beta.

description: Small molecule binding data for protein 1-acylglycerol-3-phosphate O-acyltransferase beta, Uniprot O15120
DOI: 10.7270/q2b56jdq
title: BindingDB Entry 50018516: Structure-activity relationships of aryloxyalkanoic acid hydroxyamides as potent inhibitors of histone deacetylase.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2cf9ptz
title: BindingDB Entry 50021239: Neutral 5-substituted 4-anilinoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P04626, P12931, and P35968
DOI: 10.7270/q2d799zf
title: BindingDB Entry 50016752: Bioisosteric phentolamine analogs as potent alpha-adrenergic antagonists.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, and Alpha-2C adrenergic receptor, Uniprot P08913, P18089, P18825, P25100, P35348, P35368, and Q4W594
DOI: 10.7270/q2fx793p
title: BindingDB Entry 50018515: Design of potent inhibitors of human beta-secretase. Part 1.

description: Small molecule binding data for protein Beta-secretase 1 and Cathepsin D, Uniprot P07339 and P56817
DOI: 10.7270/q2h70fj7
title: BindingDB Entry 50021235: Synthesis and inhibitory activity of 4-alkynyl and 4-alkenylquinazolines: identification of new scaffolds for potent EGFR tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2hx1c7n
title: BindingDB Entry 50016751: SAR, species specificity, and cellular activity of cyclopentene dicarboxylic acid amides as DHODH inhibitors.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH) and Dihydroorotate dehydrogenase, Uniprot O35435, Q02127, and Q63707
DOI: 10.7270/q2jw8dfc
title: BindingDB Entry 50016736: Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, and c-Jun N-terminal kinase, JNK, Uniprot P45983, P53779, and Q16539
DOI: 10.7270/q2kk9bdp
title: BindingDB Entry 50018511: N6-Cycloalkyl-2-substituted adenosine derivatives as selective, high affinity adenosine A1 receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2m04551
title: BindingDB Entry 50021254: Discovery of 1,1-dioxo-1,2,6-thiadiazine-5-carboxamide derivatives as cannabinoid-like molecules with agonist and antagonist activity.

description: Small molecule binding data for protein Cannabinoid receptor 1 (CB1R), Uniprot P47746
DOI: 10.7270/q2mk6chm
title: BindingDB Entry 50018475: Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P32238 and P32239
DOI: 10.7270/q2np23zz
title: BindingDB Entry 50016748: Synthesis of potent and selective serotonin 5-HT1B receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 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, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08908, P08912, P11229, P14416, P20309, P21728, P21917, P21918, P28221, P28222, P28223, P28335, P34969, P35367, P35372, P35462, P41143, P41145, and P50406
DOI: 10.7270/q2qc033h
title: BindingDB Entry 50018498: Tri-, tetra- and heptacyclic perylene analogues as new potential antineoplastic agents based on DNA telomerase inhibition.

description: Small molecule binding data for protein Taq polymerase 1 and Telomerase reverse transcriptase, Uniprot O14746 and P19821
DOI: 10.7270/q2rn37kn
title: BindingDB Entry 50021224: Structure-activity relationship studies of flavonoids as potent inhibitors of human platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2.

description: Small molecule binding data for protein 12-Lipoxygenase (12-LOX), 15-Lipoxygenase-2 (15-LOX-2), and Arachidonate 15-lipoxygenase, Uniprot O15296, P16050, and P18054
DOI: 10.7270/q2sf2vp9
title: BindingDB Entry 50016747: Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2t43sqh
title: BindingDB Entry 50018550: Synthesis and activity of a potent, specific azabicyclo[3.3.0]-octane-based DPP II inhibitor.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Endopeptidase prolyl oligopeptidase (PREP), and Fibroblast activation protein alpha, Uniprot P27487, P48147, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2v40ttf
title: BindingDB Entry 50018495: Novel T-type calcium channel blockers: dioxoquinazoline carboxamide derivatives.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q2vd6z5m
title: BindingDB Entry 50021247: Synthesis of novel anilinoquinolines as c-fms inhibitors.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, Uniprot P07333
DOI: 10.7270/q2wd408x
title: BindingDB Entry 50021221: Synthesis and biological evaluation of phenyl piperidine derivatives as CCR2 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot O95950, P05177, P08684, P10635, P11712, P33261, and P41597
DOI: 10.7270/q2x63mgx
title: BindingDB Entry 50016746: Novel indole alpha-methylene-gamma-lactones as potent inhibitors for AKT-mTOR signaling pathway kinases.

description: Small molecule binding data for protein Serine/threonine-protein kinase mTOR, Uniprot P42345
DOI: 10.7270/q2zw1kjv
title: BindingDB Entry 50018492: Modifications of the pyroglutamic acid and histidine residues in thyrotropin-releasing hormone (TRH) yield analogs with selectivity for TRH receptor type 2 over type 1.

description: Small molecule binding data for protein Thyrotropin-releasing hormone receptor and Thyrotropin-releasing hormone receptor 2, Uniprot P34981
DOI: 10.7270/q20z72th
title: BindingDB Entry 50016755: Synthesis and SAR of highly selective MMP-13 inhibitors.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), ADAM17, Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot O75173, P03956, P08253, P08254, P09237, P22894, P45452, P50281, and P78536
DOI: 10.7270/q21n80rc
title: BindingDB Entry 50018575: 3-aminoquinazolinediones as a new class of antibacterial agents demonstrating excellent antibacterial activity against wild-type and multidrug resistant organisms.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q22z158x
title: BindingDB Entry 50021275: Anti-Helicobacter pylori and thrombin inhibitory components from Chinese dragon's blood, Dracaena cochinchinensis.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Prothrombin, Uniprot P00734 and P27487
DOI: 10.7270/q24q7tjv
title: BindingDB Entry 50016754: Synthesis of [1,2,4]triazolo[1,5-a]pyrazines as adenosine A2A receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, and Adenosine receptor A2a, Uniprot P25099, P29274, and P30543
DOI: 10.7270/q25d8rgq
title: BindingDB Entry 50018561: Development of a novel dicistronic reporter-selectable hepatitis C virus replicon suitable for high-throughput inhibitor screening.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q26q1wzd
title: BindingDB Entry 50021274: Novel C2-purine position analogs of nitrobenzylmercaptopurine riboside as human equilibrative nucleoside transporter 1 inhibitors.

description: Small molecule binding data for protein Equilibrative Nucleoside Transporter 1 (ENT1), Uniprot Q99808
DOI: 10.7270/q28g8k8k
title: BindingDB Entry 50016753: The neuroprotective action of JNK3 inhibitors based on the 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole scaffold.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10 and Mitogen-activated protein kinase 14, Uniprot P53779 and Q16539
DOI: 10.7270/q2959h6f
title: BindingDB Entry 50018556: Identification of selective neuropeptide Y2 peptide agonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, and Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot P25929, P49146, and Q15761
DOI: 10.7270/q2bg2nqk
title: BindingDB Entry 50021270: Molecular design of histone deacetylase inhibitors by aromatic ring shifting in chlamydocin framework.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 4, and Histone deacetylase 6, Uniprot P56524, Q13547, and Q9Z2V5
DOI: 10.7270/q2c828wh
title: BindingDB Entry 50016761: (4-Substituted-phenyl)-(5H-10,11-dihydro-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-methanone derivatives as vasopressin receptor modulators.

description: Small molecule binding data for protein Vasopressin V1a receptor (V1a) and Vasopressin V2 receptor (V2), Uniprot P30518 and P37288
DOI: 10.7270/q2dz07zf
title: BindingDB Entry 50018554: Chemically programmed antibodies: endothelin receptor targeting CovX-Bodies.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q2g73df9
title: BindingDB Entry 50021263: Preparation and optimization of a series of 3-carboxamido-5-phenacylaminopyrazole bradykinin B1 receptor antagonists.

description: Small molecule binding data for protein Bradykinin B1 receptor, Uniprot P46663
DOI: 10.7270/q2h131ks
title: BindingDB Entry 50016760: Synthesis of 4-(5-[18F]fluoromethyl-3-phenylisoxazol-4-yl)benzenesulfonamide, a new [18F]fluorinated analogue of valdecoxib, as a potential radiotracer for imaging cyclooxygenase-2 with positron emission tomography.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-2 (COX-2), Uniprot P35354 and Q05769
DOI: 10.7270/q2jq10nq
title: BindingDB Entry 50018553: Hemodynamic effects of potent and selective JNK inhibitors in anesthetized rats: implication for targeting protein kinases in metabolic diseases.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 9, Transcription factor AP-1, and c-Jun N-terminal kinase, JNK, Uniprot P05412, P45983, P45984, and P53779
DOI: 10.7270/q2ng4q7p
title: BindingDB Entry 50018582: Optimization of chromone-2-carboxamide melanin concentrating hormone receptor 1 antagonists: assessment of potency, efficacy, and cardiovascular safety.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q99705
DOI: 10.7270/q2pc3211
title: BindingDB Entry 50018551: Discovery of potent and selective PKC-theta inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Protein kinase C theta type, Uniprot P08684, P10635, P11712, and Q04759
DOI: 10.7270/q2pr7vqt
title: BindingDB Entry 50021279: Synthesis of (aryloxyacetylamino)-isonicotinic/nicotinic acid analogues as potent hypoxia-inducible factor (HIF)-1alpha inhibitors.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2qr4wv6
title: BindingDB Entry 50021251: Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase (AR), Uniprot P15121
DOI: 10.7270/q2rf5tkc
title: BindingDB Entry 50016758: Preparation of 3-spirocyclic indolin-2-ones as ligands for the ORL-1 receptor.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q2th8md3
title: BindingDB Entry 50021278: New 1,2,3,4-tetrahydropyrrolo[3,4-b]indole derivatives as selective CB2 receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2w66k93
title: BindingDB Entry 50016756: Pyrazolopyridinones as functionally selective GABAA ligands.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit and GABA receptor alpha-3/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, and P34903
DOI: 10.7270/q2xw4jfx
title: BindingDB Entry 50018540: Estrogen receptor beta ligands: design and synthesis of new 2-phenyl-isoindole-1,3-diones.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2z60nt0
title: BindingDB Entry 50021276: Rynaxypyr: a new insecticidal anthranilic diamide that acts as a potent and selective ryanodine receptor activator.

description: Small molecule binding data for protein Ryanodine receptor 44F, Uniprot Q24498
DOI: 10.7270/q20001nj
title: BindingDB Entry 50016771: Trifluoroethylamines as amide isosteres in 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/q20p0znm
title: BindingDB Entry 50018590: Syntheses of hydroxy substituted 2-phenyl-naphthalenes as inhibitors of tyrosinase.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q21z4450
title: BindingDB Entry 50021304: Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P(2) amino acid by 2-aminoaryl acids and other non-natural amino acids.

description: Small molecule binding data for protein Caspase-1, Caspase-3, Caspase-6, Caspase-7, Caspase-8, and Caspase-9, Uniprot P29466, P42574, P55210, P55211, P55212, and Q14790
DOI: 10.7270/q23r0sfg
title: BindingDB Entry 50016768: Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q24f1qbw
title: BindingDB Entry 50018589: Synthesis and biological evaluation of novel T-type calcium channel blockers.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q25q4vt1
title: BindingDB Entry 50021302: Synthesis and biological evaluation of substituted 6-alkynyl-4-anilinoquinazoline derivatives as potent EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q26h4gzh
title: BindingDB Entry 50016781: A new pyridazine series of GABAA alpha5 ligands.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, and P34903
DOI: 10.7270/q27h1j56
title: BindingDB Entry 50016767: Synthesis and biological activities of novel aryl indole-2-carboxylic acid analogs as PPARgamma partial agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot P37231 and Q07869
DOI: 10.7270/q2862g2m
title: BindingDB Entry 50018588: Identification of potent and selective TACE inhibitors via the S1 pocket.

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P45452, P50281, and P78536
DOI: 10.7270/q28g8kft
title: BindingDB Entry 50021324: Heteroaryl beta-tetralin ureas as novel antagonists of human TRPV1.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q29g5mh9
title: BindingDB Entry 50021301: 2-(2-Chloro-6-fluorophenyl)acetamides as potent thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2b857p7
title: BindingDB Entry 50016780: Differential response of estrogen receptor subtypes to 1,3-diarylindene and 2,3-diarylindene ligands.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2cz36sm
title: BindingDB Entry 50018587: Design and synthesis of a novel photoaffinity ligand for the dopamine and serotonin transporters based on 2beta-carbomethoxy-3beta-biphenyltropane.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2f76c8g
title: BindingDB Entry 50021291: Heteroatom-linked indanylpyrazines are corticotropin releasing factor type-1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2g160dz
title: BindingDB Entry 50016778: Novel inhibitor of p38 MAP kinase as an anti-TNF-alpha drug: discovery of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridyl]benzamide (TAK-715) as a potent and orally active anti-rheumatoid arthritis agent.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), MAP kinase p38, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase c-TAK1, c-Jun N-terminal kinase, JNK, and p38 delta/gamma, Uniprot O14920, O15264, P27361, P27448, P45983, P53778, Q13233, Q15759, and Q16539
DOI: 10.7270/q2hq3zjd
title: BindingDB Entry 50018585: Arylmethyloxyphenyl derivatives: small molecules displaying P-glycoprotein inhibition.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine receptor D2L/neurotensin receptor NTS1, and P-glycoprotein 1, Uniprot P08183, P08908, and P14416
DOI: 10.7270/q2k07406
title: BindingDB Entry 50021286: Macrolactins O-R, glycosylated 24-membered lactones from Bacillus sp. AH159-1.

description: Small molecule binding data for protein Peptide Deformylase, Uniprot P68826
DOI: 10.7270/q2ks6r3j
title: BindingDB Entry 50016774: Development of human calcitonin gene-related peptide (CGRP) receptor antagonists. 1. Potent and selective small molecule CGRP antagonists. 1-[N2-[3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]carbonyl]-D-tyrosyl]-l-lysyl]-4-(4-pyridinyl)piperazine: the first CGRP antagonist

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602 and Q63118
DOI: 10.7270/q2ms3s9t
title: BindingDB Entry 50016759: An efficient synthesis of argifin: a natural product chitinase inhibitor with chemotherapeutic potential.

description: Small molecule binding data for protein Chitinase, Uniprot Q873X9
DOI: 10.7270/q2ns0tmf
title: BindingDB Entry 50021318: Discovery of 2,4,6-trisubstituted N-arylsulfonyl piperidines as gamma-secretase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2qj7gtv
title: BindingDB Entry 50016773: Discovery and characterization of aminopiperidinecoumarin melanin concentrating hormone receptor 1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q99705
DOI: 10.7270/q2s46rmk
title: BindingDB Entry 50018580: Stereoselective chemoenzymatic synthesis of the four stereoisomers of l-2-(2-carboxycyclobutyl)glycine and pharmacological characterization at human excitatory amino acid transporter subtypes 1, 2, and 3.

description: Small molecule binding data for protein Excitatory Amino Acid EAAT2, Excitatory amino acid transporter 1, and Excitatory amino acid transporter 3, Uniprot P43003, P43004, and P43005
DOI: 10.7270/q2sj1kb5
title: BindingDB Entry 50021307: Facile one-pot synthesis of thio and selenourea derivatives: a new class of potent urease inhibitors.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2v69j5q
title: BindingDB Entry 50016772: Discovery of potent orally active thrombin receptor (protease activated receptor 1) antagonists as novel antithrombotic agents.

description: Small molecule binding data for protein Proteinase-activated receptor 1 (PAR1), Uniprot P25116
DOI: 10.7270/q2ww7h9j
title: BindingDB Entry 50018577: Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds.

description: Small molecule binding data for protein Angiotensin II type 1a (AT-1a) receptor, Uniprot P34976
DOI: 10.7270/q2x92b00
title: BindingDB Entry 50021306: Benzazepinone Nav1.7 blockers: potential treatments for neuropathic pain.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2125sdd
title: BindingDB Entry 50021336: Rational design, structure, and biological evaluation of cyclic peptides mimicking the vascular endothelial growth factor.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor, Uniprot L7RSL3 and P17948
DOI: 10.7270/q21r6q2c
title: BindingDB Entry 50016802: 2-Cyano-4-fluoro-1-thiovalylpyrrolidine analogues as potent inhibitors of DPP-IV.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), and Fibroblast activation protein alpha, Uniprot P27487, Q12884, and Q9UHL4