cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q21r6s7f
title: BindingDB Entry 50045741: N-benzoyl-1,5-benzothiazepine and its S-oxide as vasopressin receptor ligands: insight into the active stereochemistry around the seven-membered ring.

description: Small molecule binding data for protein Vasopressin V1a receptor (V1a) and Vasopressin V2 receptor (V2), Uniprot P30518 and P37288
DOI: 10.7270/q22j6dpz
title: BindingDB Entry 50046766: Applications of Fluorine in Medicinal Chemistry.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Cannabinoid receptor 1 (CB1R), Cholesteryl ester transfer protein, Coagulation factor III/Factor VIIa (fVIIa), Dipeptidyl peptidase 4 (DPP4), EDNRA, Gamma-amino-N-butyrate transaminase, Mammalian target of Rapamycin (mTORC1), Prothrombin, and Trypanothione reductase, Uniprot P00734, P08709, P11597, P13726, P25101, P27487, P28221, P28222, P28593, P47746, P62942, and P80147
DOI: 10.7270/q27p9166
title: BindingDB Entry 50046268: TBA

description: Small molecule binding data for protein Trypanothione Reductase (TryR) and Trypanothione reductase, Uniprot P28593 and P39051
DOI: 10.7270/q2b85b1z
title: BindingDB Entry 50047310: Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Uniprot Q8R455
DOI: 10.7270/q2cf9rwp
title: BindingDB Entry 50046267: TBA

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor VII, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00740, P00742, P00747, P00749, P00750, P03951, P03952, P04070, P07477, P07478, P08709, and P35030
DOI: 10.7270/q2cz38ws
title: BindingDB Entry 50045746: Macrocyclic compounds as anti-cancer agents: design and synthesis of multi-acting inhibitors against HDAC, FLT3 and JAK2.

description: Small molecule binding data for protein Histone deacetylase, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot A0A024QZ26, O15379, O60674, P36888, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2dr2xbb
title: BindingDB Entry 50046771: Discovery of potent and selective cytotoxic activity of new quinazoline-ureas against TMZ-resistant glioblastoma multiforme (GBM).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Peripheral-Type Benzodiazepine Receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P16257, P33261, and Q12809
DOI: 10.7270/q2g162gp
title: BindingDB Entry 50045312: Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding.

description: Small molecule binding data for protein Multidrug resistance-associated protein 1 and P-glycoprotein 1, Uniprot P08183 and P33527
DOI: 10.7270/q2h41t6n
title: BindingDB Entry 50046262: TBA

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot P27815, Q07343, Q13370, Q14432, and Q9Y233
DOI: 10.7270/q2hq41mh
title: BindingDB Entry 50045745: Novel multitarget-directed ligands (MTDLs) with acetylcholinesterase (AChE) inhibitory and serotonergic subtype 4 receptor (5-HT4R) agonist activities as potential agents against Alzheimer's disease: the design of donecopride.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4 (5-HT4), Acetylcholinesterase, Butyrylcholinesterase (BuChE), and HTR4, Uniprot O70528, P22303, P81908, and Q13639
DOI: 10.7270/q2ks6t58
title: BindingDB Entry 50045311: Structure based inhibitor design targeting glycogen phosphorylase B. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-ß-d-glucopyranosylamines.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Glycogen phosphorylase, muscle form, and Muscle glycogen phosphorylase, Uniprot P00489, P06737, and P11217
DOI: 10.7270/q2ks6tdd
title: BindingDB Entry 50047308: Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Epidermal growth factor receptor, Uniprot P00533, P04626, P21860, P40989, and Q15303
DOI: 10.7270/q2mw2jw6
title: BindingDB Entry 50046261: Anthranilic acid derivatives as nuclear receptor modulators--development of novel PPAR selective and dual PPAR/FXR ligands.

description: Small molecule binding data for protein Bile acid receptor FXR, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, Q07869, and Q96RI1
DOI: 10.7270/q2ng4sbv
title: BindingDB Entry 50045744: Discovery of orally active anticancer candidate CFI-400945 derived from biologically promising spirooxindoles: success and challenges.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Fibroblast growth factor receptor 1, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, Serine/threonine-protein kinase PLK3, Serine/threonine-protein kinase PLK4, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O00444, O14965, P04629, P11362, P53350, Q02763, Q16620, Q96GD4, Q9H4B4, and Q9NYY3
DOI: 10.7270/q2p84dqg
title: BindingDB Entry 50046769: Ynamide Click chemistry in development of triazole VEGFR2 TK modulators.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2qf8vs9
title: BindingDB Entry 50047307: Discovery of Potent and Highly Selective A2B Adenosine Receptor Antagonist Chemotypes.

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/q2qj7jx1
title: BindingDB Entry 50045310: Structure-based design of novel human Pin1 inhibitors (III): optimizing affinity beyond the phosphate recognition pocket.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2rn39mx
title: BindingDB Entry 50046260: Tetra-substituted pyridinylimidazoles as dual inhibitors of p38a mitogen-activated protein kinase and c-Jun N-terminal kinase 3 for potential treatment of neurodegenerative diseases.

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/q2s75j14
title: BindingDB Entry 50045743: Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.

description: Small molecule binding data for protein Cell division protein FtsZ and Cell division protein ftsZ, Uniprot P0A031, P0A9A6, P17865, and P9WN95
DOI: 10.7270/q2t155gn
title: BindingDB Entry 50046768: Discovery of novel VEGFR-2 inhibitors. Part 5: Exploration of diverse hinge-binding fragments via core-refining approach.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2v69mgk
title: BindingDB Entry 50047306: Mimicking of Arginine by Functionalized N(¿)-Carbamoylated Arginine As a New Broadly Applicable Approach to Labeled Bioactive Peptides: High Affinity Angiotensin, Neuropeptide Y, Neuropeptide FF, and Neurotensin Receptor Ligands As Examples.

description: Small molecule binding data for protein Angiotensin II receptor, Dopamine receptor D2L/neurotensin receptor NTS1, NPFF2, Neuropeptide Y receptor type 4, and Neurotensin receptor, Uniprot O95665, P30556, P30989, P50391, and Q9Y5X5
DOI: 10.7270/q2v989qn
title: BindingDB Entry 50045309: Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 2: discovery of novel [1,2,4]Triazolo[1,5-a]pyrimidines using a structure-guided core-refining approach.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2wd42bn
title: BindingDB Entry 50046259: Tritium-labelled isovaleryl-RYYRIK-NH2 as potential antagonist probe for ORL1 nociceptin receptor.

description: Small molecule binding data for protein Nociceptin receptor, Uniprot P41146
DOI: 10.7270/q2x068rf
title: BindingDB Entry 50045742: Design, synthesis, and biological evaluation of novel 2-((2-(4-(substituted)phenylpiperazin-1-yl)ethyl)amino)-5'-N-ethylcarboxamidoadenosines as potent and selective agonists of the A2A adenosine receptor.

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/q2xs5x74
title: BindingDB Entry 50046767: Triazine as a promising scaffold for its versatile biological behavior.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2057hqm
title: BindingDB Entry 50046270: Discovery of a new series of potent prostacyclin receptor agonists with in vivo activity in rat.

description: Small molecule binding data for protein PTGIR, Prostanoid DP receptor, and Prostanoid IP receptor, Uniprot P43119, P43253, and Q13258
DOI: 10.7270/q20r9r4h
title: BindingDB Entry 50045749: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot O42275, P06276, P21397, P22303, P27338, and P81908
DOI: 10.7270/q21j9cnx
title: BindingDB Entry 50046774: Discovery of highly potent renin inhibitors potentially interacting with the S3' subsite of renin.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q22r3tj2
title: BindingDB Entry 50047312: Identification of nonabsorbable inhibitors of the scavenger receptor-BI (SR-BI) for tissue-specific administration.

description: Small molecule binding data for protein Scavenger receptor class B member 1, Uniprot Q8WTV0
DOI: 10.7270/q22v2hs4
title: BindingDB Entry 50045315: Design and synthesis of sulfamoyl benzoic acid analogues with subnanomolar agonist activity specific to the LPA2 receptor.

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1 (LPAR1), Lysophosphatidic acid receptor 3 (LPAR3), Lysophosphatidic acid receptor 4, Lysophosphatidic acid receptor 5 (LPA5), and Lysophosphatidic acid receptor Edg-4, Uniprot Q8BLG2, Q92633, Q9H1C0, Q9HBW0, and Q9UBY5
DOI: 10.7270/q23x88f1
title: BindingDB Entry 50046269: Synthesis and biological evaluation of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-(indol-3-yl)-maleimides as potent, selective GSK-3ß inhibitors and neuroprotective agents.

description: Small molecule binding data for protein AKT/p21CIP1, Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), Protein kinase C, epsilon, RAF serine/threonine protein kinase, Serine/threonine-protein kinase 17B (STK17B), and Tyrosine-protein kinase JAK2, Uniprot O14920, O60674, O94768, P15056, P31749, P49841, and Q02156
DOI: 10.7270/q24j0gvc
title: BindingDB Entry 50045748: Design, synthesis and biological evaluation of colchicine derivatives as novel tubulin and histone deacetylase dual inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot O15379, Q13547, and Q92769
DOI: 10.7270/q25b04br
title: BindingDB Entry 50046773: Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.

description: Small molecule binding data for protein Kelch-like ECH-associated protein 1, Uniprot Q14145
DOI: 10.7270/q26h4k97
title: BindingDB Entry 50047311: DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546 and Q60855
DOI: 10.7270/q26m38hv
title: BindingDB Entry 50045314: Design, synthesis and in vitro evaluation of novel uni- and bivalent ligands for the cannabinoid receptor type 1 with variation of spacer length and structure.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q28917k3
title: BindingDB Entry 50045747: Discovery of 4-(dihydropyridinon-3-yl)amino-5-methylthieno[2,3-d]pyrimidine derivatives as potent Mnk inhibitors: synthesis, structure-activity relationship analysis and biological evaluation.

description: Small molecule binding data for protein MAP kinase signal-integrating kinase 2 and MAP kinase-interacting serine/threonine-protein kinase MNK1, Uniprot Q9BUB5 and Q9HBH9
DOI: 10.7270/q2930w06
title: BindingDB Entry 50046772: Discovery of (phenoxy-2-hydroxypropyl)piperidines as a novel class of voltage-gated sodium channel 1.7 inhibitors.

description: Small molecule binding data for protein Sodium channel alpha subunit, Sodium channel protein type 9 subunit alpha, Voltage-gated sodium channel alpha subunit Nav1.1, Voltage-gated sodium channel subunit Nav1.5, and Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1), Uniprot P35498, Q14524, Q15858, and Q62205
DOI: 10.7270/q2bc4164
title: BindingDB Entry 50045313: Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03469
DOI: 10.7270/q2g162qt
title: BindingDB Entry 50047309: Synthesis and Characterization of Fatty Acid Conjugates of Niacin and Salicylic Acid.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2 and Sterol regulatory element-binding protein 2, Uniprot Q12772 and Q8TDS4
DOI: 10.7270/q2g73gh1
title: BindingDB Entry 50046274: Synthesis and biological evaluation of aryl isoxazole derivatives as metabotropic glutamate receptor 1 antagonists: a potential treatment for neuropathic pain.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2jh3p05
title: BindingDB Entry 50046770: Cyclic alpha-conotoxin peptidomimetic chimeras as potent GLP-1R agonists.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor (GLP-1), Uniprot P43220
DOI: 10.7270/q2js9sbx
title: BindingDB Entry 50047316: Optimization of N'-(arylsulfonyl)pyrazoline-1-carboxamidines by exploiting a novel interaction site in the 5-HT6 antagonistic binding pocket.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cannabinoid receptor, Dopamine receptor, and Serotonin (5-HT) receptor, Uniprot A5X5Y0, O95264, P08908, P14416, P21554, P21728, P21917, P21918, P28221, P28222, P28223, P28335, P28566, P30939, P34969, P34972, P35462, P40989, P41595, P46098, P47898, P50406, Q13639, Q70Z44, and Q8WXA8
DOI: 10.7270/q2kw5htq
title: BindingDB Entry 50046273: A novel molecule with notable activity against multi-drug resistant tuberculosis.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, UDP-glucuronosyltransferase 1-9, Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uridine-5'-diphosphoglucuronosyltransferase 1A6, and Uridine-5'-diphosphoglucuronosyltransferase 2B7, Uniprot O60656, P08684, P10635, P16662, P19224, and P22309
DOI: 10.7270/q2n87cmj
title: BindingDB Entry 50046777: Diethylstilbestrol-scaffold-based pregnane X receptor modulators.

description: Small molecule binding data for protein Pregnane X receptor (PXR), Uniprot O75469
DOI: 10.7270/q2r78gxs
title: BindingDB Entry 50045751: Synthesis and biological evaluation of 2,4-diaminopyrimidines as selective Aurora A kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein and Serine/threonine-protein kinase Aurora, Uniprot O14965 and Q96GD4
DOI: 10.7270/q2s184b8
title: BindingDB Entry 50046776: An integrated approach for discovery of highly potent and selective Mnk inhibitors: Screening, synthesis and SAR analysis.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1, Cyclin-Dependent Kinase 9 (CDK9), MAP kinase signal-integrating kinase 2, and MAP kinase-interacting serine/threonine-protein kinase MNK1, Uniprot O60563, P20248, P24941, P50750, P78396, Q9BUB5, and Q9HBH9
DOI: 10.7270/q2t72kbr
title: BindingDB Entry 50047314: Discovery and Characterization of Biased Allosteric Agonists of the Chemokine Receptor CXCR3.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q2tb18jc
title: BindingDB Entry 50045317: Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.

description: Small molecule binding data for protein C-C chemokine receptor type 1, Chemokine (C-C motif) receptor 1, and Pregnane X receptor (PXR), Uniprot O75469, P32246, and P51675
DOI: 10.7270/q2vd717q
title: BindingDB Entry 50046271: Discovery of non-electrophilic capsaicinoid-type TRPA1 ligands.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1 and Transient receptor potential cation channel subfamily V member 1, Uniprot Q6RI86 and Q8NER1
DOI: 10.7270/q2w097nh
title: BindingDB Entry 50045750: Design and synthesis of celastrol derivatives as anticancer agents.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2ws8w3r
title: BindingDB Entry 50046775: Identification of N-(1H-pyrazol-4-yl)carboxamide inhibitors of interleukin-1 receptor associated kinase 4: Bicyclic core modifications.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4, Uniprot Q9NWZ3
DOI: 10.7270/q2z03b11
title: BindingDB Entry 50047313: Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 3. Engineering plasma stability by discovery and optimization of isoindolinone analogs.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Metabotropic glutamate receptor 1, and Metabotropic glutamate receptor 4 (mGluR4), Uniprot P05177, P08684, P10635, P11712, Q13255, and Q14833
DOI: 10.7270/q2z3219j
title: BindingDB Entry 50045316: Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442): a temperature-neutral transient receptor potential vanilloid-1 (TRPV1) antagonist with analgesic efficacy.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Transient receptor potential cation channel subfamily V member 1, Uniprot P08684, P10635, and Q8NER1
DOI: 10.7270/q20k2bdr
title: BindingDB Entry 50046782: Protostane Triterpenoids from the Rhizome of Alisma orientale Exhibit Inhibitory Effects on Human Carboxylesterase 2.

description: Small molecule binding data for protein Carboxylesterase 2, Uniprot O00748
DOI: 10.7270/q21r6sc7
title: BindingDB Entry 50047320: Development and Pharmacological Characterization of Selective Blockers of 2-Arachidonoyl Glycerol Degradation with Efficacy in Rodent Models of Multiple Sclerosis and Pain.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cannabinoid receptor 1, Cannabinoid receptor 2, Fatty-acid amide hydrolase 1 (FAAH), Monoglyceride lipase, and Monoglyceride lipase (MGL), Uniprot O00519, O08914, P21554, P34972, P97612, Q8R431, and Q99685
DOI: 10.7270/q22z1796
title: BindingDB Entry 50046277: Cyclosporine A- and tacrolimus-mediated inhibition of CYP3A4 and CYP3A5 in vitro.

description: Small molecule binding data for protein Cytochrome P450 3A and Cytochrome P450 3A5 (CYP3A5), Uniprot P08684 and P20815
DOI: 10.7270/q23j3fpj
title: BindingDB Entry 50045756: Towards small molecule inhibitors of mono-ADP-ribosyltransferases.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874, Q460N3, Q460N5, and Q53GL7
DOI: 10.7270/q25h7j4d
title: BindingDB Entry 50047319: Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot P06276, P22303, and P81908
DOI: 10.7270/q25m67cg
title: BindingDB Entry 50045322: Design, synthesis and biological evaluation of 17-arylmethylamine-17-demethoxygeldanamycin derivatives as potent Hsp90 inhibitors.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q26q201x
title: BindingDB Entry 50046276: Discovery and structure-activity relationship studies of N6-benzoyladenine derivatives as novel BRD4 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q27946d8
title: BindingDB Entry 50045755: Discovery of N-benzoxazol-5-yl-pyrazole-4-carboxamides as nanomolar SQR inhibitors.

description: Small molecule binding data for protein Succinate-ubiquinone oxidoreductase, Uniprot A5GZW8 and D0VWV4
DOI: 10.7270/q2833tvd
title: BindingDB Entry 50046780: Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor, Dopamine receptor, Phosphodiesterase Type 10 (PDE10A), Serotonin receptor (2b and 2c), Sodium-dependent noradrenaline transporter, and cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot P14416, P21728, P21917, P21918, P23975, P35462, P41595, Q8CA95, Q9QYJ6, Q9Y233, and Q9Y271
DOI: 10.7270/q29c7036
title: BindingDB Entry 50045321: Discovery and molecular modeling of novel 1-indolyl acetate--5-nitroimidazole targeting tubulin polymerization as antiproliferative agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2bg2qs9
title: BindingDB Entry 50046275: Design, synthesis and evaluation of chromone-2-carboxamido-alkylbenzylamines as multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275 and P37136