cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2df6svt
title: BindingDB Entry 50045265: Synthetic studies on mitotic kinesin Eg5 inhibitors: synthesis and structure-activity relationships of novel 2,4,5-substituted-1,3,4-thiadiazoline derivatives.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2fj2jjq
title: BindingDB Entry 50046216: Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.

description: Small molecule binding data for protein Epoxide hydratase and Epoxide hydrolase 2, Uniprot P34913 and P80299
DOI: 10.7270/q2g44s0c
title: BindingDB Entry 50045699: Discovery and profiling of a selective and efficacious Syk inhibitor.

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Interleukin-1 receptor-associated kinase 1, MER intracellular domain/EGFR extracellular domain chimera, Mitogen-activated protein kinase kinase kinase 2, Mitotic checkpoint serine/threonine-protein kinase BUB1, Protein kinase C alpha type, Proto-oncogene tyrosine-protein kinase ROS, Serine/threonine-protein kinase 2, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PAK6, Serine/threonine-protein kinase PAK7, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, and Voltage-gated potassium channel, Uniprot O43683, O60674, O96013, P08922, P17252, P30530, P43403, P43405, P51617, Q12809, Q12866, Q9H2G2, Q9NQU5, Q9P286, and Q9Y2U5
DOI: 10.7270/q2j67jj3
title: BindingDB Entry 50045264: Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 4. Exploration of a novel binding pocket.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Glucokinase, and Hexokinase type IV, Uniprot P08684, P10635, P35557, and P52792
DOI: 10.7270/q2kp840g
title: BindingDB Entry 50046731: Discovery of wrightiadione as a novel template for the TrkA kinase inhibitors.

description: Small molecule binding data for protein Neurotrophic tyrosine kinase receptor and Serine/threonine-protein kinase PLK3, Uniprot P04629 and Q9H4B4
DOI: 10.7270/q2mw2k1d
title: BindingDB Entry 50047268: Selective non-zinc binding MMP-2 inhibitors: Novel benzamide Ilomastat analogs with anti-tumor metastasis.

description: Small molecule binding data for protein Collagenase, Uniprot P08253 and P14780
DOI: 10.7270/q2nv9kxp
title: BindingDB Entry 50045262: Investigation of Cardiovascular Effects of Tetrahydro-ß-carboline sstr3 antagonists.

description: Small molecule binding data for protein Somatostatin receptor, Somatostatin receptor 1, Somatostatin receptor 3, Somatostatin receptor 4, Somatostatin receptor 5, and Voltage-gated potassium channel, Uniprot P30872, P30874, P30935, P31391, P32745, P35346, and Q12809
DOI: 10.7270/q2p270wt
title: BindingDB Entry 50046222: 'Carba'-carfentanil (trans isomer): aµ opioid receptor (MOR) partial agonist with a distinct binding mode.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P41144, and P97266
DOI: 10.7270/q2qc05bg
title: BindingDB Entry 50046730: Discovery of the oxazabicyclo[3.3.1]nonane derivatives as potent and orally active GPR119 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119) and Glucose-dependent insulinotropic receptor, Uniprot Q7TQP3 and Q8TDV5
DOI: 10.7270/q2rn39rq
title: BindingDB Entry 50047267: Synthesis of triazoloquinazolinone based compounds as tubulin polymerization inhibitors and vascular disrupting agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2sq9241
title: BindingDB Entry 50046221: Discovery of quinazolin-4-amines bearing benzimidazole fragments as dual inhibitors of c-Met and VEGFR-2.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P08581 and P35968
DOI: 10.7270/q2tb18kt
title: BindingDB Entry 50045704: Selective nonpeptidic fluorescent ligands for oxytocin receptor: design, synthesis, and application to time-resolved FRET binding assay.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P30559, P37288, and P47901
DOI: 10.7270/q2v40x0x
title: BindingDB Entry 50046729: A fragment of the Escherichia coli ClpB heat-shock protein is a micromolar melanocortin 1 receptor agonist.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2wd42f0
title: BindingDB Entry 50047266: Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309, Q86V86, and Q9P1W9
DOI: 10.7270/q2xg9svz
title: BindingDB Entry 50046220: Design, synthesis, and biological evaluation of scaffold-based tripeptidomimetic antagonists for CXC chemokine receptor 4 (CXCR4).

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2z321b0
title: BindingDB Entry 50045703: 3,4-diaminobenzoic acid derivatives as inhibitors of the oxytocinase subfamily of M1 aminopeptidases with immune-regulating properties.

description: Small molecule binding data for protein Cystinyl aminopeptidase, Endoplasmic reticulum aminopeptidase 1, Endoplasmic reticulum aminopeptidase 2, and Interleukin-1 receptor antagonist protein, Uniprot P25085, Q6P179, Q9NZ08, and Q9UIQ6
DOI: 10.7270/q2zw1nqx
title: BindingDB Entry 50046728: Development of novel dipeptide-like rhodesain inhibitors containing the 3-bromoisoxazoline warhead in a constrained conformation.

description: Small molecule binding data for protein Rhodesain
DOI: 10.7270/q2057htz
title: BindingDB Entry 50047273: Computer-aided identification of new histone deacetylase 6 selective inhibitor with anti-sepsis 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, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q218388q
title: BindingDB Entry 50046227: Synthesis and Pharmacology of a Novel¿ Opioid Receptor (KOR) Agonist with a 1,3,5-Trioxazatriquinane Skeleton.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P41143, P41144, P41145, and P42866
DOI: 10.7270/q21v5gnr
title: BindingDB Entry 50045710: C-Terminal modifications of apelin-13 significantly change ligand binding, receptor signaling, and hypotensive action.

description: Small molecule binding data for protein apelin receptor, Uniprot P35414
DOI: 10.7270/q22n543p
title: BindingDB Entry 50046735: Isomeric methoxy analogs of nimesulide for development of brain cyclooxygense-2 (COX-2)-targeted imaging agents: Synthesis, in vitro COX-2-inhibitory potency, and cellular transport properties.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q23t9k3m
title: BindingDB Entry 50047272: Identification and synthesis of potent and selective pyridyl-isoxazole based agonists of sphingosine-1-phosphate 1 (S1P1).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P21453, P33261, and Q99500
DOI: 10.7270/q25m67dx
title: BindingDB Entry 50045709: When structure-affinity relationships meet structure-kinetics relationships: 3-((Inden-1-yl)amino)-1-isopropyl-cyclopentane-1-carboxamides as CCR2 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950 and P41597
DOI: 10.7270/q26d5vtm
title: BindingDB Entry 50046734: Crystal structures of human RIP2 kinase catalytic domain complexed with ATP-competitive inhibitors: Foundations for understanding inhibitor selectivity.

description: Small molecule binding data for protein Serine/threonine-protein kinase RIPK2, Uniprot O43353
DOI: 10.7270/q27m09s1
title: BindingDB Entry 50047271: A sub-milligram-synthesis protocol for in vitro screening of HDAC11 inhibitors.

description: Small molecule binding data for protein Histone deacetylase 11, Uniprot Q96DB2
DOI: 10.7270/q28p625b
title: BindingDB Entry 50045266: 2,2'-Dihydroxybenzophenones and their carbonyl N-analogues as inhibitor scaffolds for MDR-involved human glutathione transferase isoenzyme A1-1.

description: Small molecule binding data for protein Glutathione S-transferase (GST), Uniprot P08263
DOI: 10.7270/q28s4rpm
title: BindingDB Entry 50046225: Discovery of Spiro[cyclohexane-dihydropyrano[3,4-b]indole]-amines as Potent NOP and Opioid Receptor Agonists.

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/q29c704n
title: BindingDB Entry 50045708: Synthesis and structure-activity relationship study of a new series of selectives(1) receptor ligands for the treatment of pain: 4-aminotriazoles.

description: Small molecule binding data for protein Sigma and Voltage-gated potassium channel, Uniprot Q12809 and Q99720
DOI: 10.7270/q2b56mks
title: BindingDB Entry 50046733: Design, synthesis, biological evaluation and docking study of 4-isochromanone hybrids bearing N-benzyl pyridinium moiety as dual binding site acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2cc12j6
title: BindingDB Entry 50047270: Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q2dj5hdb
title: BindingDB Entry 50046224: Substrate derived peptidica-ketoamides as inhibitors of the malarial protease PfSUB1.

description: Small molecule binding data for protein Subtilisin-like serine protease
DOI: 10.7270/q2f47qvk
title: BindingDB Entry 50045707: Engineering potent and selective analogues of GpTx-1, a tarantula venom peptide antagonist of the Na(V)1.7 sodium channel.

description: Small molecule binding data for protein Sodium channel alpha subunit, Sodium channel protein type 9 subunit alpha, Voltage-gated sodium channel subunit Nav1.5, Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3), Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), and Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot P35499, Q14524, Q15858, Q62205, Q9NY46, and Q9Y5Y9
DOI: 10.7270/q2fx7c96
title: BindingDB Entry 50046732: Exploration of labeling by near infrared dyes of the polyproline linker for bivalent-type CXCR4 ligands.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2h41t90
title: BindingDB Entry 50047269: Structural optimization and structure-functional selectivity relationship studies of G protein-biased EP2 receptor agonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid FP receptor, and Prostanoid IP receptor, Uniprot P34995, P35408, P43088, P43115, P43116, and P43119
DOI: 10.7270/q2h70hhm
title: BindingDB Entry 50045273: Two Potent OXE-R Antagonists: Assignment of Stereochemistry.

description: Small molecule binding data for protein TG 1019, Uniprot Q8TDS5
DOI: 10.7270/q2j9685h
title: BindingDB Entry 50046223: Design, synthesis, biological evaluation of substituted benzofurans as DNA gyraseB inhibitors of Mycobacterium tuberculosis.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P0C559
DOI: 10.7270/q2jw8gk0
title: BindingDB Entry 50045706: Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor, Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P30559, P37288, P47901, and Q62463
DOI: 10.7270/q2n0186w
title: BindingDB Entry 50045272: Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11ß-Hydroxysteroid Dehydrogenase Type 1 (11ß-HSD-1).

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Pregnane X receptor (PXR), and Voltage-gated potassium channel, Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P28845, P33261, P50172, P80365, and Q12809
DOI: 10.7270/q2pk0hv3
title: BindingDB Entry 50045705: Structure-activity relationship studies and in vivo activity of guanidine-based sphingosine kinase inhibitors: discovery of SphK1- and SphK2-selective inhibitors.

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1) and Sphingosine kinase types 2 (SphK2), Uniprot Q9NRA0 and Q9NYA1
DOI: 10.7270/q2rr20wf
title: BindingDB Entry 50045271: Carbonic anhydrase inhibitors: design, synthesis, and biological evaluation of novel sulfonyl semicarbazide derivatives.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2wd4279
title: BindingDB Entry 50045270: Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, Cathepsin E, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Pepsinogen A5, Pepsinogen C, Renin, Voltage-gated potassium channel, Voltage-gated sodium channel subunit Nav1.5, and Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), Uniprot P00797, P07339, P08684, P0DJD9, P10635, P11712, P14091, P20142, P56817, Q12809, Q14524, Q99250, and Q9Y5Z0
DOI: 10.7270/q2xw4mm0
title: BindingDB Entry 50046736: Synthesis, binding affinity, radiolabeling, and microPET evaluation of 4-(2-substituted-4-substituted)-8-(dialkylamino)-6-methyl-1-substituted-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-ones as ligands for brain corticotropin-releasing factor type-1 (CRF1) receptors.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2057hm8
title: BindingDB Entry 50045277: Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3K¿) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis.

description: Small molecule binding data for protein PI3-kinase subunit gamma, Uniprot P48736
DOI: 10.7270/q23x8897
title: BindingDB Entry 50045276: Azapropellanes with anti-influenza a virus activity.

description: Small molecule binding data for protein Matrix protein 2
DOI: 10.7270/q25140zk
title: BindingDB Entry 50046226: Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin receptor, Voltage-gated L-type calcium channel, and Voltage-gated potassium channel, Uniprot P22002, P27732, P35372, P41143, P41145, P41146, and Q12809
DOI: 10.7270/q25d8tns
title: BindingDB Entry 50046742: Isolation, semisynthesis, covalent docking and transforming growth factor beta-activated kinase 1 (TAK1)-inhibitory activities of (5Z)-7-oxozeaenol analogues.

description: Small molecule binding data for protein TAK1/TAB1, Uniprot O43318
DOI: 10.7270/q26m38qj
title: BindingDB Entry 50047279: Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q27p912d
title: BindingDB Entry 50045275: Sulfonamides with Potent Inhibitory Action and Selectivity against thea-Carbonic Anhydrase from Vibrio cholerae.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q28c9xxk
title: BindingDB Entry 50045716: Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead.

description: Small molecule binding data for protein Matrix metalloproteinase 10, Stromelysin-1, and Voltage-gated potassium channel, Uniprot P08254, P09238, and Q12809
DOI: 10.7270/q2959kch
title: BindingDB Entry 50046741: Discovery of Novel Inhibitor Scaffolds against the Metallo-ß-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening.

description: Small molecule binding data for protein Metallo-beta-lactamase VIM-2 (VIM-2)
DOI: 10.7270/q2bc41dt
title: BindingDB Entry 50047278: Lobelane analogues containing 4-hydroxy and 4-(2-fluoroethoxy) aromatic substituents: Potent and selective inhibitors of [(3)H]dopamine uptake at the vesicular monoamine transporter-2.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Sodium-dependent serotonin transporter, and Vesicular monoamine transporter 2 (VMAT2), Uniprot P23977, P31652, and Q01827
DOI: 10.7270/q2cf9rsb
title: BindingDB Entry 50045274: Benzimidazoles: novel mycobacterial gyrase inhibitors from scaffold morphing.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, DNA gyrase subunit B, and Voltage-gated potassium channel, Uniprot P05177, P08684, P0C559, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q2dz0b4x
title: BindingDB Entry 50046740: Structure activity relationships of benzyl C-region analogs of 2-(3-fluoro-4-methylsulfonamidophenyl)propanamides as potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2g44s5m
title: BindingDB Entry 50047277: Synthesis and characterization of a series of chiral alkoxymethyl morpholine analogs as dopamine receptor 4 (D4R) antagonists.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21728, P21917, P21918, and P35462
DOI: 10.7270/q2h996zt
title: BindingDB Entry 50046231: Conformationally-locked N-glycosides: exploiting long-range non-glycone interactions in the design of pharmacological chaperones for Gaucher disease.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase) and Glucosylceramidase, Uniprot P04062 and Q2KHZ8
DOI: 10.7270/q2hx1fc8
title: BindingDB Entry 50045714: Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, BCL-W, Bcl-2-related protein A1, Bcl-xL/BAK, Induced myeloid leukemia cell differentiation protein Mcl-1, and Serum albumin, Uniprot P02768, P10415, Q07817, Q07820, Q16548, and Q92843
DOI: 10.7270/q2jq12v7
title: BindingDB Entry 50046739: Molecular hybridization yields triazole bronchodilators for the treatment of COPD.

description: Small molecule binding data for protein Beta-2 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, and Muscarinic acetylcholine receptor M2, Uniprot P07550, P08172, P08173, P08912, P11229, P20309, and Q8K4Z4
DOI: 10.7270/q2kw5hx2
title: BindingDB Entry 50047276: Studies on phenothiazines: New microtubule-interacting compounds with phenothiazine A-ring as potent antineoplastic agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2n29zqm
title: BindingDB Entry 50046230: Discovery of Imigliptin, a Novel Selective DPP-4 Inhibitor for the Treatment of Type 2 Diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2np2630
title: BindingDB Entry 50045713: Selective, nontoxic CB(2) cannabinoid o-quinone with in vivo activity against triple-negative breast cancer.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2pg1tj4
title: BindingDB Entry 50046738: Synthesis of novel compounds containing morpholine and 5(4H)-oxazolone rings as potent tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2qn68p7
title: BindingDB Entry 50047275: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2qr4zs4
title: BindingDB Entry 50045279: Development and biological evaluation of potent and selective c-KIT(D816V) inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Tyrosine-protein kinase Kit (Kit), Uniprot P10721 and P42336
DOI: 10.7270/q2rv0qfk
title: BindingDB Entry 50046229: Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q92769, Q969S8, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q2sb47gw
title: BindingDB Entry 50045712: Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors: discovery of 2-[4-(3-{(r)-1-[4-(2-amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915).

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Arachidonate 5-lipoxygenase-activating protein, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, P11712, P20292, and P30355
DOI: 10.7270/q2t43vx1
title: BindingDB Entry 50046737: Synthesis and biochemical evaluation of benzoylbenzophenone thiosemicarbazone analogues as potent and selective inhibitors of cathepsin L.

description: Small molecule binding data for protein Cathepsin (B and K) and Cathepsin L1, Uniprot P07711 and P07858