cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2vh5qtw
title: BindingDB Entry 50047842: How much successful are the medicinal chemists in modulation of SIRT1: A critical review.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, NAD-dependent deacetylase sirtuin 3, and NAD-dependent histone deacetylase SIR2, Uniprot P06700, Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q2vq34h4
title: BindingDB Entry 50046814: Discovery of a Novel Series of Imidazo[1,2-a]pyrimidine Derivatives as Potent and Orally Bioavailable Lipoprotein-Associated Phospholipase A2 Inhibitors.

description: Small molecule binding data for protein LDL-associated phospholipase A2, Uniprot Q13093
DOI: 10.7270/q2xw4mqb
title: BindingDB Entry 50047344: Synthesis and evaluation of novel angiotensin II receptor 1 antagonists as anti-hypertension drugs.

description: Small molecule binding data for protein AGTR1, Uniprot P25095
DOI: 10.7270/q2zp47tc
title: BindingDB Entry 50045788: Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone disorders (Part I).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, NK-3 receptor, Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, Neuromedin-K receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P16177, P21452, P25103, P29371, P33261, and Q12809
DOI: 10.7270/q21n8316
title: BindingDB Entry 50047351: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2319xt7
title: BindingDB Entry 50047848: Synthesis and screening of triazolopyrimidine scaffold as multi-functional agents for Alzheimer's disease therapies.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q25d8tqp
title: BindingDB Entry 50047350: N-Indolylglycosides bearing modifications at the glucose C6-position as sodium-dependent glucose co-transporter 2 inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2639rg9
title: BindingDB Entry 50045794: Synthesis and bioactivity ofß-substituted fosmidomycin analogues targeting 1-deoxy-D-xylulose-5-phosphate reductoisomerase.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P45568 and P9WNS1
DOI: 10.7270/q26q2065
title: BindingDB Entry 50047847: Synthesis of novel 17-(4'-formyl)pyrazolylandrosta-5,16-dienes and their derivatives as potent 17a-hydroxylase/C17,20-lyase inhibitors or antiproliferative agents depending on the substitution pattern of the heteroring.

description: Small molecule binding data for protein Cytochrome P450 17A1, Uniprot P11715
DOI: 10.7270/q2930w3j
title: BindingDB Entry 50047349: Acetylcholinesterase and carbonic anhydrase inhibitory properties of novel urea and sulfamide derivatives incorporating dopaminergic 2-aminotetralin scaffolds.

description: Small molecule binding data for protein Acetylcholinesterase, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot O42275, P00915, P00918, and P22303
DOI: 10.7270/q29w0h68
title: BindingDB Entry 50045793: Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P07339, P08684, P10632, P10635, P33261, P56817, and Q12809
DOI: 10.7270/q2bg2qx3
title: BindingDB Entry 50047846: Structural modifications at the 6-position of thieno[2,3-d]pyrimidines and their effects on potency at FLT3 for treatment of acute myeloid leukemia.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P00519, P36888, and Q02763
DOI: 10.7270/q2bp04mb
title: BindingDB Entry 50046818: Synthesis and biological evaluation of 5-(fluoro-substituted-6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazoles as inhibitors of transforming growth factor-ß type I receptor kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type I, Uniprot P36897 and Q16539
DOI: 10.7270/q2dv1ms3
title: BindingDB Entry 50047348: Discovery of small-molecule nonpeptide antagonists of nociceptin/orphanin FQ receptor: The studies of design, synthesis, and structure-activity relationships for (4-arylpiperidine substituted-methyl)-[bicyclic (hetero)cycloalkanobenzene] derivatives.

description: Small molecule binding data for protein Mu-type opioid receptor, Nociceptin receptor, and Voltage-gated potassium channel, Uniprot P35372, P41146, and Q12809
DOI: 10.7270/q2f191g3
title: BindingDB Entry 50046321: N-Substituted pyrazole-3-carboxamides as inhibitors of human 15-lipoxygenase.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Uniprot P16050
DOI: 10.7270/q2fn17xk
title: BindingDB Entry 50045792: A facile synthesis and microtubule-destabilizing properties of 4-(1H-benzo[d]imidazol-2-yl)-furazan-3-amines.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2g73gp8
title: BindingDB Entry 50047845: Cyclin Dependent Kinase 9 Inhibitors for Cancer Therapy.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin H/Cyclin-dependent kinase 7, CDK2/Cyclin A1, CDK3/E, CDK6/G1/S-specific cyclin D3, CDK6/cyclin D2, CDK8/Cyclin C, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-Dependent Kinase 9 (CDK9), Cyclin-T1/Cyclin-dependent-like kinase 5, Cyclin-dependent kinase 1/G1/S-specific cyclin-D1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4/G1/S-specific cyclin-E1, Cyclin-dependent kinase 6/G1/S-specific cyclin D1, Cyclin-dependent kinase 9, JAK2/JAK1, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Tyrosine-protein kinase receptor FLT3, Uniprot O60563, O60674, P06493, P11802, P14635, P20248, P24385, P24863, P24864, P24941, P30281, P36888, P42336, P50613, P50750, P51946, P51948, P78396, Q00526, Q00534, Q00535, Q13955 Q5U035 P30279 A8K531, and Q15078
DOI: 10.7270/q2gf0wbp
title: BindingDB Entry 50046817: Chemical conjugation of 2-hexadecynoic acid to C5-curcumin enhances its antibacterial activity against multi-drug resistant bacteria.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0A0K8 and P20831
DOI: 10.7270/q2jm2cht
title: BindingDB Entry 50047347: Novel optimization of valmerins (tetrahydropyrido[1,2-a]isoindolones) as potent dual CDK5/GSK3 inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5) and Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot Q00535, Q13627, and Q15078
DOI: 10.7270/q2js9s64
title: BindingDB Entry 50046320: Design, synthesis, and biological activity of phenyl-pyrazole derivatives as BCR-ABL kinase inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, Uniprot P00519
DOI: 10.7270/q2kd20n9
title: BindingDB Entry 50045791: Discovery of HCV NS5B thumb site I inhibitors: core-refining from benzimidazole to indole scaffold.

description: Small molecule binding data for protein Non-structural protein 5B (NS5B), Uniprot P26663
DOI: 10.7270/q2m61n3v
title: BindingDB Entry 50046816: Constituents of the seeds of Cassia tora with inhibitory activity on soluble expoxide hydrolease.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2pk0hx0
title: BindingDB Entry 50046319: Insights into the interaction of negative allosteric modulators with the metabotropic glutamate receptor 5: discovery and computational modeling of a new series of ligands with nanomolar affinity.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 5, and metabotropic glutamate 1/2, Uniprot P23385, P31424, and P41594
DOI: 10.7270/q2q52rcn
title: BindingDB Entry 50045790: The Discovery of Orally Bioavailable Tyrosine Threonine Kinase (TTK) Inhibitors: 3-(4-(heterocyclyl)phenyl)-1H-indazole-5-carboxamides as Anticancer Agents.

description: Small molecule binding data for protein Cytochrome P450 3A, Dual specificity protein kinase TTK, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, Maternal embryonic leucine zipper kinase (MELK), Mitogen-activated protein kinase 10, Muscle, skeletal receptor tyrosine protein kinase, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK4, Tyrosine-protein kinase Kit (Kit), and Vascular endothelial growth factor receptor 2, Uniprot O00444, O14965, O15146, P07949, P08684, P10721, P28482, P33981, P35968, P53779, and Q14680
DOI: 10.7270/q2qz2ctv
title: BindingDB Entry 50046815: Novel, potent, selective and cellular active ABC type PTP1B inhibitors containing (methanesulfonyl-phenyl-amino)-acetic acid methyl ester phosphotyrosine mimetic.

description: Small molecule binding data for protein Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P29350, and Q06124
DOI: 10.7270/q2th8pn2
title: BindingDB Entry 50047850: Synthesis and biological evaluation of novel 4-hydroxytamoxifen analogs as estrogen-related receptor gamma inverse agonists.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Estrogen-related receptor alpha, Estrogen-related receptor gamma, and Steroid hormone receptor ERR2, Uniprot P03372, P11474, and P62508
DOI: 10.7270/q2tx3h32
title: BindingDB Entry 50045789: Design and synthesis of norendoxifen analogues with dual aromatase inhibitory and estrogen receptor modulatory activities.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Cytochrome P450 3A5 (CYP3A5), Estradiol receptor alpha (ERα), and Estradiol receptor beta (ERβ), Uniprot P03372, P05177, P08684, P10635, P11509, P11511, P20815, and Q92731
DOI: 10.7270/q2ww7kkz
title: BindingDB Entry 50047352: Synthesis and evaluation of novel opioid ligands with a C-homomorphinan skeleton.

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/q2z321dw
title: BindingDB Entry 50046317: Exploring S1 plasticity and probing S1' subsite of mammalian aminopeptidase N/CD13 with highly potent and selective aminobenzosuberone inhibitors.

description: Small molecule binding data for protein Aminopeptidase N, Bacterial leucyl aminopeptidase, and Leucine aminopeptidase, Uniprot P15144, P15145, P28838, and Q01693
DOI: 10.7270/q2z89fcs
title: BindingDB Entry 50047849: Chiral 6-aryl-furo[2,3-d]pyrimidin-4-amines as EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q21v5gr3
title: BindingDB Entry 50046324: Meridianin derivatives as potent Dyrk1A inhibitors and neuroprotective agents.

description: Small molecule binding data for protein Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, and Dual-specificity tyrosine-regulated kinases 1B, Uniprot O43781, Q13627, Q63470, Q92630, and Q9Y463
DOI: 10.7270/q2222wr9
title: BindingDB Entry 50047856: Computer-assisted design, synthesis, binding and cytotoxicity assessments of new 1-(4-(aryl(methyl)amino)butyl)-heterocyclic sigma 1 ligands.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q22f7q4v
title: BindingDB Entry 50045795: Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptora1 for the treatment of pain.

description: Small molecule binding data for protein Glycine, Uniprot P23415
DOI: 10.7270/q2348n7z
title: BindingDB Entry 50046820: Structure-Activity Relationships of the Peptide Kappa Opioid Receptor Antagonist Zyklophin.

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptor, Uniprot P33535, P34975, and P41145
DOI: 10.7270/q25m67gt
title: BindingDB Entry 50046323: Synthesis and structure-activity relationship of aminoarylthiazole derivatives as correctors of the chloride transport defect in cystic fibrosis.

description: Small molecule binding data for protein CFTR, Uniprot P13569
DOI: 10.7270/q26w9cw2
title: BindingDB Entry 50046819: Synthesis and pharmacological evaluation of piperidine (piperazine)-substituted benzoxazole derivatives as multi-target antipsychotics.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Serotonin (5-HT) receptor, and Voltage-gated potassium channel, Uniprot P08909, P14416, P14842, P19327, P31389, P32305, P35462, P61169, and Q12809
DOI: 10.7270/q2862jb1
title: BindingDB Entry 50047357: Amine-free melanin-concentrating hormone receptor 1 antagonists: Novel 1-(1H-benzimidazol-6-yl)pyridin-2(1H)-one derivatives and design to avoid CYP3A4 time-dependent inhibition.

description: Small molecule binding data for protein GPR24, Melanin-concentrating hormone receptor, and Voltage-gated potassium channel, Uniprot Q12809 and Q99705
DOI: 10.7270/q29888st
title: BindingDB Entry 50046322: Discovery and structural analyses of S-adenosyl-L-homocysteine hydrolase inhibitors based on non-adenosine analogs.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P10760 and P23526
DOI: 10.7270/q2dn46rr
title: BindingDB Entry 50045800: Structure-activity relationship studies of SEN12333 analogues: determination of the optimal requirements for binding affinities ata7 nAChRs through incorporation of known structural motifs.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2f76fg0
title: BindingDB Entry 50047853: Polycyclic Polyprenylated Acylphloroglucinol Congeners from Hypericum scabrum.

description: Small molecule binding data for protein Monoamine transporters; Norepinephrine & dopamine, Serotonin and norepinephrine transporters (SERT/NET), and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2ff3v5v
title: BindingDB Entry 50046825: Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.

description: Small molecule binding data for protein Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, Q16790, and Q9ULX7
DOI: 10.7270/q2hm5bb0
title: BindingDB Entry 50047355: Biphenyl-4-yl-acrylohydroxamic acids: Identification of a novel indolyl-substituted HDAC inhibitor with antitumor activity.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2jd4zhj
title: BindingDB Entry 50045799: Rational design of triazololipopeptides analogs of kisspeptin inducing a long-lasting increase of gonadotropins.

description: Small molecule binding data for protein G-protein Coupled Receptor 54 and Neuropeptide FF receptor 1, Uniprot Q969F8 and Q9GZQ6
DOI: 10.7270/q2k0766q
title: BindingDB Entry 50047852: Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2nc632q
title: BindingDB Entry 50047354: Design, discovery, modelling, synthesis, and biological evaluation of novel and small, low toxicity s-triazine derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2nk3gt2
title: BindingDB Entry 50046327: Identification of 3,5,6-substituted indolin-2-one's inhibitors of Aurora B by development of a luminescent kinase assay.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Uniprot Q96GD4
DOI: 10.7270/q2p55q78
title: BindingDB Entry 50045798: Synthesis and biological evaluation of nitrated 7-, 8-, 9-, and 10-hydroxyindenoisoquinolines as potential dual topoisomerase I (Top1)-tyrosyl-DNA phosphodiesterase I (TDP1) inhibitors.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q2pr7xxb
title: BindingDB Entry 50047851: A critical review of both the synthesis approach and the receptor profile of the 8-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide and analogue derivatives.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 1 (CB1R), and Cannabinoid receptor 2, Uniprot P21554, P34972, P47746, and P47936
DOI: 10.7270/q2pz5bn1
title: BindingDB Entry 50046823: Identification ofß-Lapachone Analogs as Novel MALT1 Inhibitors To Treat an Aggressive Subtype of Diffuse Large B-Cell Lymphoma.

description: Small molecule binding data for protein MALT lymphoma-associated translocation (MALT1), Uniprot Q9UDY8
DOI: 10.7270/q2s46tvj
title: BindingDB Entry 50047353: Biological evaluation of synthetica,ß-unsaturated carbonyl based cyclohexanone derivatives as neuroprotective novel inhibitors of acetylcholinesterase, butyrylcholinesterase and amyloid-ß aggregation.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2sb47js
title: BindingDB Entry 50046326: Discovery of a novel trans-1,4-dioxycyclohexane GPR119 agonist series.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Glucose-dependent insulinotropic receptor, Uncharacterized protein, and Voltage-gated potassium channel, Uniprot Q12809, Q7TQN8, Q7TQP3, and Q8TDV5
DOI: 10.7270/q2sx6fz8
title: BindingDB Entry 50045797: Discovery of Potent Inhibitors of Schistosoma mansoni NAD¿ Catabolizing Enzyme.

description: Small molecule binding data for protein Lymphocyte differentiation antigen CD38, Uniprot P28907
DOI: 10.7270/q2tq63cr
title: BindingDB Entry 50046822: Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q2x3508h
title: BindingDB Entry 50046325: Discovery of novel pyrazole-containing benzamides as potent ROR¿ inverse agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, and Pregnane X receptor (PXR), Uniprot O75469, P35398, P51449, P51450, Q6I9R9, and Q92753
DOI: 10.7270/q2xp76nj
title: BindingDB Entry 50045796: Design and Synthesis of Newa-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1A1, and Cytochrome P450 1B1, Uniprot P04798, P05177, and Q16678
DOI: 10.7270/q2zg6v2n
title: BindingDB Entry 50046821: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline.

description: Small molecule binding data for protein Lysine-specific demethylase 4A (KDM4A), Uniprot O75164
DOI: 10.7270/q20p11xd
title: BindingDB Entry 50047359: Isoquinoline-1,3-diones as Selective Inhibitors of Tyrosyl DNA Phosphodiesterase II (TDP2).

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1) and tyrosyl-DNA phosphodiesterase 2, Uniprot O95551 and Q9NUW8
DOI: 10.7270/q20v8fk8
title: BindingDB Entry 50046332: Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa.

description: Small molecule binding data for protein Beta-carbonic anhydrase, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, P46510, and P53615
DOI: 10.7270/q21g0p01
title: BindingDB Entry 50045803: Discovery and preliminary evaluation of 2-aminobenzamide and hydroxamate derivatives containing 1,2,4-oxadiazole moiety as potent histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot Q13547, Q92769, and Q9BY41
DOI: 10.7270/q22809d3
title: BindingDB Entry 50046828: Discovery ofa-mangostin as a novel competitive inhibitor against mutant isocitrate dehydrogenase-1.

description: Small molecule binding data for protein Isocitrate Dehydrogenase (IDH1), Uniprot O75874
DOI: 10.7270/q24f1snr
title: BindingDB Entry 50047358: Design and Synthesis of Benzimidazoles As Novel Corticotropin-Releasing Factor 1 Receptor Antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2571dqb
title: BindingDB Entry 50045802: Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3.

description: Small molecule binding data for protein 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2, and 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3), Uniprot O60825, P16118, and Q16875
DOI: 10.7270/q25t3nf8
title: BindingDB Entry 50047855: Structural modifications of the serotonin 5-HT7 receptor agonist N-(4-cyanophenylmethyl)-4-(2-biphenyl)-1-piperazinehexanamide (LP-211) to improve in vitro microsomal stability: A case study.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P34969, and P50406
DOI: 10.7270/q25x2bsp
title: BindingDB Entry 50046827: Peptidyl prolyl isomerase Pin1-inhibitory activity of D-glutamic and D-aspartic acid derivatives bearing a cyclic aliphatic amine moiety.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q28c9z0w
title: BindingDB Entry 50046330: Naltrindole derivatives with fluorinated ethyl substituents on the 17-nitrogen asd opioid receptor inverse agonists.

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