cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2833vff
title: BindingDB Entry 50000391: Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth.

description: Small molecule binding data for protein CaM-kinase kinase beta, Maternal embryonic leucine zipper kinase, Mitogen-activated protein kinase 1, NUAK family SNF1-like kinase 1, and Serine/threonine-protein kinase Chk1/2, Uniprot A0A024RBL3, A0A024RBQ0, O14757, O60285, P28482, Q14680, Q1HBJ4, and Q96RR4
DOI: 10.7270/q20k2c0s
title: BindingDB Entry 50000393: Synthesis and structure-activity relationship study of pyrazolo[3,4-d]pyrimidines as tyrosine kinase RET inhibitors.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret, Uniprot A0A024R7T2 and P07949
DOI: 10.7270/q2r49t5d
title: BindingDB Entry 50000395: Pharmacological evaluation of a novel series of urea, thiourea and guanidine derivatives as P2X

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2vt1vjj
title: BindingDB Entry 50000394: Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective.

description: Small molecule binding data for protein Gamma-aminobutyric acid type B receptor subunit 1, Glycine receptor subunit alpha-1, Muscarinic acetylcholine receptor M2 and M4, and Tyrosine-protein kinase BTK, Uniprot A0A1U9X7R0, A4D1Q0, P08172, P23415, Q06187, and Q9UBS5
DOI: 10.7270/q2mc92f2
title: BindingDB Entry 50000396: Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension.

description: Small molecule binding data for protein Cytochrome P450 11B, Cytochrome P450 11B1, Cytochrome P450 11B2, Cytochrome P450 17A1, Cytochrome P450 19A1, Cytochrome P450 21, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot A0A024R5S8, C1ID52, K9LHU1, P05093, P08684, P08686, P10635, P11511, P11712, P15538, P19099, P30099, Q1HB44, Q6GRK0, and S5RV20
DOI: 10.7270/q2gm89qb
title: BindingDB Entry 50000397: Novel pyrazoles and pyrazolo[1,2-a]pyridazines as selective COX-2 inhibitors; Ultrasound-assisted synthesis, biological evaluation, and DFT calculations.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin E synthase/G/H synthase 2, Uniprot P23219 and P35354
DOI: 10.7270/q2bv7k1g
title: BindingDB Entry 50000401: Improvement of hERG-ROMK index of spirocyclic ROMK inhibitors through scaffold optimization and incorporation of novel pharmacophores.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, ATP-sensitive inward rectifier potassium channel 1, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Inward rectifier potassium channel 2, Nuclear receptor subfamily 1 group I member 2, Renal Outer Medullary Potassium (ROMK), Sodium channel protein type 5 subunit alpha, Sodium-dependent serotonin transporter, and Voltage-gated calcium channel, Uniprot C1ID52, O75469, P08684, P10632, P10635, P11712, P31645, P35560, P40989, P48048, P63252, Q13936, Q14524, Q6GRK0, and S5RV20
DOI: 10.7270/q23b62j8
title: BindingDB Entry 50000403: Optimization of M

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Muscarinic receptor M1 and M2, and Potassium voltage-gated channel subfamily H member 2, Uniprot A0A024R3W1, A0A024R9I2, A0A090N8Q0, A4D1Q0, C1ID52, P05177, P08172, P08173, P08482, P08483, P08485, P08684, P08911, P08912, P10635, P10980, P11229, P11712, P20309, P20813, Q12809, Q53XZ3, Q6GRK0, and S5RV20
DOI: 10.7270/q2736t92
title: BindingDB Entry 50000402: Identification of low micromolar dual inhibitors for aldose reductase (ALR2) and poly (ADP-ribose) polymerase (PARP-1) using structure based design approach.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot A0A024R3T8 and P09874
DOI: 10.7270/q2zk5k3f
title: BindingDB Entry 50000405: Structure-related protein tyrosine phosphatase 1B inhibition by naringenin derivatives.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot A8K3M3 and P18031
DOI: 10.7270/q2tx3hs1
title: BindingDB Entry 50000406: The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.

description: Small molecule binding data for protein Neurotensin receptor 3, Uniprot Q99523
DOI: 10.7270/q2q52s21
title: BindingDB Entry 50000407: Design, synthesis and evaluation of 1,3,6-trisubstituted-4-oxo-1,4-dihydroquinoline-2-carboxylic acid derivatives as ET

description: Small molecule binding data for protein Endothelin receptor, ET-A/ET-B and Endothelin-1 receptor, Uniprot P24530 and P25101
DOI: 10.7270/q2kd21bp
title: BindingDB Entry 50000408: Targeting the Receptor for Advanced Glycation Endproducts (RAGE): A Medicinal Chemistry Perspective.

description: Small molecule binding data for protein Advanced glycosylation end product-specific receptor, Uniprot A0A1U9X785, Q15109, and Q63495
DOI: 10.7270/q2fn18mz
title: BindingDB Entry 50000409: Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 10, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and UDP-3-O-acyl-GlcNAc deacetylase (LpxC), Uniprot A0A024QZ26, O15379, P47205, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2639s5p
title: BindingDB Entry 50000413: Perspectives of Cannabinoid Type 2 Receptor (CB2R) Ligands in Neurodegenerative Disorders: Structure-Affinity Relationship (SAfiR) and Structure-Activity Relationship (SAR) Studies.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q29w0hw7
title: BindingDB Entry 50000410: Insights on the Interaction between Transthyretin and Aβ in Solution. A Saturation Transfer Difference (STD) NMR Analysis of the Role of Iododiflunisal.

description: Small molecule binding data for protein Transthyretin, Uniprot E9KL36 and P02766
DOI: 10.7270/q22f7qv8
title: BindingDB Entry 50000414: Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor 2/HERG, Phosphodiesterase 4 and 5 (PDE4 and PDE5), cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and p38 MAP kinase alpha/beta, Uniprot A0A024RD15, A0A090N8Q0, A0A140VJR0, P27815, Q07343, Q08493, Q08499, Q12809, Q16539, and X5DNX5
DOI: 10.7270/q2sx6gp3
title: BindingDB Entry 50000416: Discovery of Potent Small-Molecule Inhibitors of Ubiquitin-Conjugating Enzyme UbcH5c fromα-Santonin Derivatives.

description: Small molecule binding data for protein Ubiquitin-conjugating enzyme E2 D3, Uniprot A0A024RDH2 and P61077
DOI: 10.7270/q2xp77cc
title: BindingDB Entry 50000415: Identification and Optimization of Pyrrolo[3,2-d]pyrimidine Toll-like Receptor 7 (TLR7) Selective Agonists for the Treatment of Hepatitis B.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Melanin-concentrating hormone receptor 2/HERG, and Toll-like receptor 7, Uniprot A0A090N8Q0, B2R9N9, C1ID52, P05177, P10632, P10635, P11712, P28223, P33261, Q12809, Q9NYK1, and S5RV20
DOI: 10.7270/q2p55qzp
title: BindingDB Entry 50000418: Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2, ATPase family AAA domain-containing protein 2B, Bromodomain and PHD finger-containing protein 3, Bromodomain-containing protein 1, Bromodomain-containing protein 4, Bromodomain-containing protein 7, Bromodomain-containing protein 9, Peregrin, and Transcription intermediary factor 1-alpha, Uniprot A0A024R4W4, A0A024R9G7, O15164, O60885, O95696, P55201, Q6PL18, Q9H8M2, Q9NPI1, Q9ULD4, and Q9ULI0
DOI: 10.7270/q2dn47gk
title: BindingDB Entry 50000420: Discovery of Small Molecules Targeting the Synergy of Cardiac Transcription Factors GATA4 and NKX2-5.

description: Small molecule binding data for protein GATA4/NKX2-5, Uniprot P42582, Q08369, and Q3UQU2
DOI: 10.7270/q2jd507r
title: BindingDB Entry 50000419: Microbiota-Host Transgenomic Metabolism, Bioactive Molecules from the Inside.

description: Small molecule binding data for protein Free fatty acid receptor 2 and Free fatty acid receptor 3, Uniprot A0A0K0PUW7, C6KYL4, O14843, and O15552
DOI: 10.7270/q28w3grv
title: BindingDB Entry 50000421: Anchimerically Activated ProTides as Inhibitors of Cap-Dependent Translation and Inducers of Chemosensitization in Mantle Cell Lymphoma.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E (eIF4E), Uniprot P06730
DOI: 10.7270/q21g0pp0
title: BindingDB Entry 50000423: Inhibition of Calcium Dependent Protein Kinase 1 (CDPK1) by Pyrazolopyrimidine Analogs Decreases Establishment and Reoccurrence of Central Nervous System Disease by Toxoplasma gondii.

description: Small molecule binding data for protein Calmodulin-domain protein kinase 1 (CDPK1) and Proto-oncogene tyrosine-protein kinase Src, Uniprot P12931 and Q9BJF5
DOI: 10.7270/q2571fdq
title: BindingDB Entry 50000422: Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.

description: Small molecule binding data for protein Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, Uniprot O43924 and Q6IB24
DOI: 10.7270/q2wq067j
title: BindingDB Entry 50000424: Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.

description: Small molecule binding data for protein Cyclic GMP-AMP synthase, Uniprot Q8N884
DOI: 10.7270/q2n58psv
title: BindingDB Entry 50000426: Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen.

description: Small molecule binding data for protein Acid-sensing ion channel 1 and Amiloride-sensitive cation channel 3, Uniprot O35240 and P55926
DOI: 10.7270/q2hd7z2j
title: BindingDB Entry 50000427: Exploring Heme and Hemoglobin Binding Regions of Plasmodium Heme Detoxification Protein for New Antimalarial Discovery.

description: Small molecule binding data for protein Heme ligase, Uniprot Q8IL04,A0A144A6G1
DOI: 10.7270/q2rx9fh8
title: BindingDB Entry 50000425: Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.

description: Small molecule binding data for protein Androgen Receptor, Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Estrogen receptor, Glucocorticoid receptor, Mineralocorticoid receptor, and Progesterone receptor, Uniprot B0ZBF6, F1D8N4, G4XH65, P03372, P04150, P06401, P06536, P08235, P15207, Q7LCB3, and Q92731
DOI: 10.7270/q280551h
title: BindingDB Entry 50000429: Targeted Polypharmacology: Discovery of a Highly Potent Non-Hydroxamate Dual Matrix Metalloproteinase (MMP)-10/-13 Inhibitor.

description: Small molecule binding data for protein Matrix metalloproteinase (1 and 13) and Matrix metalloproteinase 10, Uniprot P09238 and P45452
DOI: 10.7270/q2cn76b6
title: BindingDB Entry 50000428: Design and Synthesis of Ligand Efficient Dual Inhibitors of Janus Kinase (JAK) and Histone Deacetylase (HDAC) Based on Ruxolitinib and Vorinostat.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 10, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot A0A024QZ26, A0A024R7E4, A0A024R7M7, O15379, O60674, P23458, P29597, P52333, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2474d9s
title: BindingDB Entry 50000430: Discovery of 1-(4-(4-Amino-3-(4-(2-morpholinoethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl)-3-(5-(tert-butyl)isoxazol-3-yl)urea (CHMFL-FLT3-213) as a Highly Potent Type II FLT3 Kinase Inhibitor Capable of Overcoming a Variety of FLT3 Kinase Mutants in FLT3-ITD Positive AML.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin H/Cyclin-dependent kinase 7, CDK8/Cyclin C, Cyclin-dependent kinase 11B, Discoidin domain-containing receptor 2, Epithelial discoidin domain-containing receptor 1, MAP kinase-interacting serine/threonine-protein kinase 1/2, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, Proto-oncogene tyrosine-protein kinase receptor Ret, SRC, Tyrosine-protein kinase BTK, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 3, Uniprot A0A024R688, A0A024R7T2, A0A024R906, A0A024RCL1, A0A0S2Z3F9, A0A0S2Z3Y8, L7RSL3, P06239, P07333, P07949, P09619, P10721, P16234, P17948, P21127, P24863, P35916, P36888, P49336, P50613, P51946, P51948, Q06187, Q08345, Q16832, Q7Z4L3, and Q9HBH9
DOI: 10.7270/q2vq3535
title: BindingDB Entry 50000432: Click-Chemistry-Mediated Synthesis of Selective Melanocortin Receptor 4 Agonists.

description: Small molecule binding data for protein Melanocortin receptor (M4 and M5), Melanocortin receptor 3, and Melanocortin receptor 4, Uniprot P32245, P33032, and P41968
DOI: 10.7270/q20g3nk2
title: BindingDB Entry 50000431: Design, Synthesis, and Characterization of N-Oxide-Containing Heterocycles with in Vivo Sterilizing Antitubercular Activity.

description: Small molecule binding data for protein Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, and Cytochrome P450 3A, Uniprot P08684, P10632, P20813, P33261, and Q6GRK0
DOI: 10.7270/q2qz2dcf
title: BindingDB Entry 50000433: Methyl 3-(3-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)-propanamido)benzoate as a Novel and Dual Malate Dehydrogenase (MDH) 1/2 Inhibitor Targeting Cancer Metabolism.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Malate dehydrogenase cytoplasmic, Malate dehydrogenase, mitochondrial, and Protein kinase C (PKC), Uniprot A0A024R328, A0A024R4K3, D0VY79, L7RSM7, L7RTI5, O94806, P05129, P05771, P17252, P24723, P40925, P40926, P41743, Q02156, Q04759, Q05513, Q05655, Q15139, Q16665, and V9HWF2
DOI: 10.7270/q2gf0wx9
title: BindingDB Entry 50000436: The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.

description: Small molecule binding data for protein CaM-kinase kinase beta, Dual specificity protein kinase CLK1/CLK4, Dual specificity protein kinase CLK2, Dual specificity protein kinase TTK, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Melanin-concentrating hormone receptor 2/HERG, Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma, Phosphorylase kinase, and c-Jun N-terminal kinase, JNK, Uniprot A0A024R0I0, A0A024RBQ0, A0A024RDL4, A0A090N8Q0, A8K7I0, O43781, P33981, P45983, P45984, P49759, P49760, P53779, Q12809, Q13627, Q16816, Q8TBX8, Q96RR4, and Q9Y463
DOI: 10.7270/q2m61nn1
title: BindingDB Entry 50000434: Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/γ-Aminobutyric Acid Transporter 1 (BGT1).

description: Small molecule binding data for protein Betaine transporter, GABA transporter, GABA transporter 1, GABA transporter 2, and GABA transporter 3, Uniprot A0A024R2K8, P23978, P30531, P31649, P31650, P31651, P48065, P48066, and Q9NSD5
DOI: 10.7270/q2br8vmr
title: BindingDB Entry 50000437: Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q2377c5d
title: BindingDB Entry 50000440: Targets for Drug Therapy for Autism Spectrum Disorder: Challenges and Future Directions.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot B2R9L7, P30559, and P97926
DOI: 10.7270/q27083wq
title: BindingDB Entry 50000438: Discovery of a Novel Piperidine-Based Inhibitor of Cholesteryl Ester Transfer Protein (CETP) That Retains Activity in Hypertriglyceridemic Plasma.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot A0A0S2Z3F6 and P11597
DOI: 10.7270/q2zg6vpq
title: BindingDB Entry 50000443: Discovery of Potent and Orally Bioavailable Macrocyclic Peptide-Peptoid Hybrid CXCR7 Modulators.

description: Small molecule binding data for protein C-X-C chemokine receptor type 7 (CXCR7), Uniprot P25106
DOI: 10.7270/q2pz5c72
title: BindingDB Entry 50000445: Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potentμ-Opioid Receptor 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
DOI: 10.7270/q2tq63zc
title: BindingDB Entry 50000444: Structure-Activity Relationship Studies of Pyrimido[5,4-b]indoles as Selective Toll-Like Receptor 4 Ligands.

description: Small molecule binding data for protein Toll-like receptor 4 and Toll-like receptor 4/MD-2/CD14, Uniprot L0CL36, O00206, and Q9QUK6
DOI: 10.7270/q2fj2k6n
title: BindingDB Entry 50000447: Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.

description: Small molecule binding data for protein Growth factor receptor-bound protein 7, Uniprot A0A0S2Z4F6 and Q14451
DOI: 10.7270/q2k64mhn
title: BindingDB Entry 50000446: Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).

description: Small molecule binding data for protein Coagulation factor IX, Coagulation factor XI, Coagulation factor XII, Kallikrein 1, Plasma kallikrein, Plasminogen, Thrombin and coagulation factor VII, Thrombin and coagulation factor X, Tissue-type plasminogen activator, Urokinase-type plasminogen activator/surface receptor, and Vitamin K-dependent protein C, Uniprot A0A024QZM9, A0A1R3UCD2, P00734, P00740, P00742, P00747, P00748, P00749, P00750, P03951, P03952, P04070, P06870, P08709, and Q5JVE7
DOI: 10.7270/q29s1tgx
title: BindingDB Entry 50000448: Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot A0A024R3D7 and P56817
DOI: 10.7270/q26112rw
title: BindingDB Entry 50000449: Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot A0A024R6T9, P23975, P31645, and Q01959
DOI: 10.7270/q2280b1k
title: BindingDB Entry 50000450: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, endothelial, Nitric oxide synthase, inducible, and Nitric-oxide synthase, brain, Uniprot B3VK56, P29474, P29475, P29476, and P29477
DOI: 10.7270/q2xg9tjb
title: BindingDB Entry 50000451: Design of MC1R Selectiveγ-MSH Analogues with Canonical Amino Acids Leads to Potency and Pigmentation.

description: Small molecule binding data for protein Melanocortin receptor (M4 and M5), Melanocortin receptor 3, Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, Q01726, and Q1JUL4
DOI: 10.7270/q2sq92sj
title: BindingDB Entry 50000454: A Positive Allosteric Modulator of the Serotonin 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2C, Uniprot P28335
DOI: 10.7270/q2j968sk
title: BindingDB Entry 50000456: Discovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1P

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 5, and Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3, Uniprot A0A024R7B2, O95136, O95977, P21453, P48303, Q99500, and Q9H228
DOI: 10.7270/q2nz8b27
title: BindingDB Entry 50000455: X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Mitogen-activated protein kinase phosphatase 5 (MKP5), Protein-tyrosine phosphatase 1B, Receptor-type tyrosine-protein phosphatase F (LAR), Tyrosine-protein phosphatase non-receptor type 2, and tyrosine-protein phosphatase non-receptor type 5 isoform a, Uniprot A8K3M3, P10586, P17706, P18031, P24666, P54829, and Q9Y6W6
DOI: 10.7270/q2dj5j28
title: BindingDB Entry 50000457: Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic, L-lactate dehydrogenase A chain, and Lactate dehydrogenase B (LDHB), Uniprot A0A024R3Y6, O75874, P00338, P07195, Q5U077, and V9HWB9
DOI: 10.7270/q28s4sbj
title: BindingDB Entry 50000458: Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q21838x7
title: BindingDB Entry 50000460: Highly Selective Dopamine D

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, D(2) dopamine receptor, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot A0A024R3C5, P08908, P14416, P21917, P35462, and Q5ZGX3
DOI: 10.7270/q25141nz
title: BindingDB Entry 50000459: Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.

description: Small molecule binding data for protein Peptide N-myristoyltransferase, Uniprot P30419
DOI: 10.7270/q2rr21p5
title: BindingDB Entry 50000462: Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor 2/HERG, Uniprot A0A090N8Q0 and Q12809