cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q25x2br7
title: BindingDB Entry 50046649: Dicarabrol, a new dimeric sesquiterpene from Carpesium abrotanoides L.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q26w9cjk
title: BindingDB Entry 50043489: Design, syntheses, and characterization of pharmacophore based chemokine receptor CCR5 antagonists as anti prostate cancer agents.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q27w6drv
title: BindingDB Entry 50044646: Discovery of a new class of cinnamyl-triazole as potent and selective inhibitors of aromatase (cytochrome P450 19A1).

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q28w3g00
title: BindingDB Entry 50045623: A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases.

description: Small molecule binding data for protein Pantothenate kinase 1, Pantothenate kinase 2, mitochondrial, and Pantothenate kinase 3, Uniprot Q8TE04, Q9BZ23, and Q9H999
DOI: 10.7270/q29p33fh
title: BindingDB Entry 50046648: Discovery and Evaluation of Clinical Candidate AZD3759, a Potent, Oral Active, Central Nervous System-Penetrant, Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor.

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, Cytochrome P450 3A5 (CYP3A5), Dopamine receptor D2L/neurotensin receptor NTS1, Epidermal growth factor receptor, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot P00533, P04626, P05177, P08684, P10632, P10635, P11712, P12931, P14416, P20813, P20815, P21860, P33261, P35968, Q12809, and Q15303
DOI: 10.7270/q2cn75gk
title: BindingDB Entry 50044645: 20(S)-Ginsenoside Rh2 as aldose reductase inhibitor from Panax ginseng.

description: Small molecule binding data for protein Aldose reductase (AR), Uniprot P15121
DOI: 10.7270/q2dj5hbf
title: BindingDB Entry 50045622: Identification of the minimum peptide from mouse myostatin prodomain for human myostatin inhibition.

description: Small molecule binding data for protein Growth/differentiation factor 8, Uniprot O14793
DOI: 10.7270/q2fb54sz
title: BindingDB Entry 50046647: Design, synthesis and evaluation of thiohydantoin derivatives as potent topoisomerase I (Top1) inhibitors with anticancer activity.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q2hm5b2d
title: BindingDB Entry 50045178: Development of first lead structures for phosphoinositide 3-kinase-C2¿ inhibitors.

description: Small molecule binding data for protein Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide and Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma, Uniprot O00750 and O75747
DOI: 10.7270/q2hq41pd
title: BindingDB Entry 50046137: Design, synthesis and preliminary biological evaluation of indoline-2,3-dione derivatives as novel HDAC inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, and Q9UBN7
DOI: 10.7270/q2j96825
title: BindingDB Entry 50045621: Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5 and Voltage-gated potassium channel, Uniprot P41594 and Q12809
DOI: 10.7270/q2k35wgv
title: BindingDB Entry 50046646: Quinazolinedione SIRT6 inhibitors sensitize cancer cells to chemotherapeutics.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and Sirtuin-6 (SIRT6), Uniprot Q8IXJ6, Q8N6T7, and Q96EB6
DOI: 10.7270/q2nc62t5
title: BindingDB Entry 50045177: Toward fluorescent probes for G-protein-coupled receptors (GPCRs).

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4) and Neurokinin 2 receptor, Uniprot P21452 and P61073
DOI: 10.7270/q2ng4sc9
title: BindingDB Entry 50046136: 3,5-Diarylpyrazole Derivatives Obtained by Ammonolysis of the Total Flavonoids from Chrysanthemum indicum Extract Show Potential for the Treatment of Alzheimer's Disease.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q2p270tx
title: BindingDB Entry 50045620: Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization.

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot O60885, P25440, and Q15059
DOI: 10.7270/q2pv6mtx
title: BindingDB Entry 50043493: TBA

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot A5HZZ9
DOI: 10.7270/q2qz2ckq
title: BindingDB Entry 50044650: Attachment of carbohydrates to methoxyaryl moieties leads to highly selective inhibitors of the cancer associated carbonic anhydrase isoforms IX and XII.

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/q2s46tmd
title: BindingDB Entry 50045176: Fragment-based hit discovery and structure-based optimization of aminotriazoloquinazolines as novel Hsp90 inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, 40S ribosomal protein S27, AKT/p21CIP1, ALK tyrosine kinase receptor, Aurora kinase B/Inner centromere protein, Ephrin receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, HSP90 and hnRNPA2/B1, Hepatocyte growth factor receptor, High affinity immunoglobulin gamma Fc receptor I, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, JAK2/TYK2, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, MAP kinase signal-integrating kinase 2, MAP kinase-activated protein kinase 2, Maternal embryonic leucine zipper kinase (MELK), Mitogen-activated protein kinase 14, Mitotic checkpoint serine/threonine-protein kinase BUB1, Neurotrophic tyrosine kinase receptor, PKC alpha and beta-2, Pancreatic endoplasmic reticulum kinase (PERK), Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase ROS, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase EEF2K, Serine/threonine-protein kinase MST4, Serine/threonine-protein kinase NEK6, Serine/threonine-protein kinase NIM1, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase haspin, Serine/threonine-protein kinase tousled-like 2, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase BRK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, cAMP-dependent protein kinase (PKA), and heat shock 70kDa protein 8 isoform 1, Uniprot O00418, O14757, O14920, O14965, O15530, O43683, O60674, O96013, P04629, P05771, P06213, P06239, P07948, P07949, P08238, P08581, P08922, P09619, P10721, P11142, P11362, P12314, P17612, P23458, P28482, P29317, P29597, P31749, P35916, P35968, P36888, P42677, P43403, P43405, P49137, P49841, P52333, P53350, Q05397, Q07912, Q13882, Q14680, Q16539, Q86UE8, Q8IY84, Q8TF76, Q96GD4, Q9HBH9, Q9HC98, Q9NZJ5, Q9P289, and Q9UM73
DOI: 10.7270/q2s75j2k
title: BindingDB Entry 50046135: Benzimidazole derivatives as potential dual inhibitors for PARP-1 and DHODH.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and Q02127
DOI: 10.7270/q2ww7kbt
title: BindingDB Entry 50045175: Mode of interaction of 1,4-dioxane agonists at the M2 and M3 muscarinic receptor orthosteric sites.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2x068sw
title: BindingDB Entry 50046134: 5-Aryl-1H-pyrazole-3-carboxylic acids as selective inhibitors of human carbonic anhydrases IX and XII.

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/q2zc849t
title: BindingDB Entry 50043491: Novel nonsecosteroidal VDR agonists with phenyl-pyrrolyl pentane skeleton.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q20p11p8
title: BindingDB Entry 50045182: Benzoquinones as inhibitors of botulinum neurotoxin serotype A.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q20r9r5z
title: BindingDB Entry 50046141: BN/CC isosterism in borazaronaphthalenes towards phosphodiesterase 10A (PDE10A) inhibitors.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q24f1sdm
title: BindingDB Entry 50045181: Potential C-terminal-domain inhibitors of heat shock protein 90 derived from a C-terminal peptide helix.

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1 and Heat shock protein HSP 90, Uniprot P08238
DOI: 10.7270/q24j0gwt
title: BindingDB Entry 50046140: Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series.

description: Small molecule binding data for protein PAK1, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase PAK 4, Uniprot O14965, O96013, and Q13153
DOI: 10.7270/q2862j3w
title: BindingDB Entry 50045180: Synthesis and biological evaluation of bivalent cannabinoid receptor ligands based on hCB2R selective benzimidazoles reveal unexpected intrinsic properties.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q28917n0
title: BindingDB Entry 50046139: Discovery of novel, potent, selective and cellular active ADC type PTP1B inhibitors via fragment-docking-oriented de novel design.

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/q2bp04c6
title: BindingDB Entry 50044653: Identification of N-[(5-{[(4-methylphenyl)sulfonyl]amino}-3-(trifluoroacetyl)-1H-indol-1-yl)acetyl]-l-leucine (NTRC-824), a neurotensin-like nonpeptide compound selective for the neurotensin receptor type 2.

description: Small molecule binding data for protein Neurotensin receptor 1 and Neurotensin receptor 2, Uniprot P20789 and Q63384
DOI: 10.7270/q2cn75kx
title: BindingDB Entry 50045630: Pachymodulin, a new functional formyl peptide receptor 2 peptidic ligand isolated from frog skin has Janus-like immunomodulatory capacities.

description: Small molecule binding data for protein Formyl peptide receptor-related sequence 1 and fMet-Leu-Phe receptor 1/2, Uniprot O08790, P21462, and P25090
DOI: 10.7270/q2cv4kc4
title: BindingDB Entry 50045179: Discovery and early clinical development of 2-{6-[2-(3,5-dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a soft-drug inhibitor of phosphodiesterase 4 for topical treatment of atopic dermatitis.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q2d220cq
title: BindingDB Entry 50046138: Orally active ghrelin receptor inverse agonists and their actions on a rat obesity model.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot O08725 and Q92847
DOI: 10.7270/q2df6t01
title: BindingDB Entry 50046655: Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2ff3ttz
title: BindingDB Entry 50043495: TBA

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2gf0w3j
title: BindingDB Entry 50044652: Conjugation of a nonspecific antiviral sapogenin with a specific HIV fusion inhibitor: a promising strategy for discovering new antiviral therapeutics.

description: Small molecule binding data for protein GP41
DOI: 10.7270/q2h996wx
title: BindingDB Entry 50045629: Synthesis of novel inhibitors ofa-glucosidase based on the benzothiazole skeleton containing benzohydrazide moiety and their molecular docking studies.

description: Small molecule binding data for protein Maltase-glucoamylase, Uniprot O43451
DOI: 10.7270/q2j38vdc
title: BindingDB Entry 50046654: Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q2k64kh7
title: BindingDB Entry 50043494: Development of 3,4-dihydroisoquinolin-1(2H)-one derivatives for the Positron Emission Tomography (PET) imaging ofs2 receptors.

description: Small molecule binding data for protein P-glycoprotein 1 and Sigma-1 receptor, Uniprot P08183 and Q60492
DOI: 10.7270/q2m61mv9
title: BindingDB Entry 50044651: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents withß-amyloid and tau anti-aggregating properties.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2n29zm8
title: BindingDB Entry 50045628: Discovery of potent heterodimeric antagonists of inhibitor of apoptosis proteins (IAPs) with sustained antitumor activity.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2, Uniprot Q13490
DOI: 10.7270/q2nv9m2w
title: BindingDB Entry 50046653: Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective¿-opioid receptor agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Nociceptin/mu opioid receptor, Uniprot P32300, P33535, and P41145
DOI: 10.7270/q2rv0qcp
title: BindingDB Entry 50045627: Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2sn0bsr
title: BindingDB Entry 50046652: Characterization of 2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl Ureido Based Inhibitors of Trypanosoma brucei FolD and Testing for Antiparasitic Activity.

description: Small molecule binding data for protein Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, Uniprot P13995
DOI: 10.7270/q2tm7cjn
title: BindingDB Entry 50043492: Novel acetamidothiazole derivatives: synthesis and in vitro anticancer evaluation.

description: Small molecule binding data for protein Leukotriene A4 hydrolase, MAP kinase ERK2, Thymidylate synthase, and Vitamin D receptor, Uniprot P04818, P09960, P11473, and P28482
DOI: 10.7270/q2vq3480
title: BindingDB Entry 50044649: Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa.

description: Small molecule binding data for protein Calcium channel (Type L), Calcium channel (Type T,L), KCNQ (Kv7) potassium channel, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, Voltage-gated potassium channel, Voltage-gated potassium channel subunit Kv1.5, and Voltage-gated sodium channel subunit Nav1.5, Uniprot O95180, P22460, P51787, Q12809, Q13936, Q14524, Q9UK17, and Q9Y3Q4
DOI: 10.7270/q2vx0j5j
title: BindingDB Entry 50045183: Synthesis of some novel hydrazone and 2-pyrazoline derivatives: monoamine oxidase inhibitory activities and docking studies.

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/q2wm1g3d
title: BindingDB Entry 50045626: Discovery of small molecule inhibitors to Krüppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation.

description: Small molecule binding data for protein Krueppel-like factor 10, Uniprot Q13118
DOI: 10.7270/q2xd13hg
title: BindingDB Entry 50046651: Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase SYK, and Voltage-gated potassium channel, Uniprot O14965, P43405, Q12809, and Q96GD4
DOI: 10.7270/q20c4xfx
title: BindingDB Entry 50045633: Synthesis and bioevaluation of pyrazole-benzimidazolone hybrids as novel human 4-Hydroxyphenylpyruvate dioxygenase inhibitors.

description: Small molecule binding data for protein 4-hydroxyphenylpyruvate dioxygenase, Uniprot P32754
DOI: 10.7270/q2154jv0
title: BindingDB Entry 50046658: Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent.

description: Small molecule binding data for protein Enoyl-ACP Reductase (FabI), Uniprot Q6GI75
DOI: 10.7270/q2348mzz
title: BindingDB Entry 50044655: ASK1 pharmacophore model derived from diverse classes of inhibitors.

description: Small molecule binding data for protein Apoptosis Signal-regulating Kinase 1 (ASK1), Uniprot Q99683
DOI: 10.7270/q2445p5n
title: BindingDB Entry 50045632: Development of a series of aryl pyrimidine kynurenine monooxygenase inhibitors as potential therapeutic agents for the treatment of Huntington's disease.

description: Small molecule binding data for protein Kynurenine 3-monooxygenase, Uniprot O15229, O88867, and Q91WN4
DOI: 10.7270/q24x59mv
title: BindingDB Entry 50046657: Discovery of 6-phenylimidazo[2,1-b]thiazole derivatives as a new type of FLT3 inhibitors.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1, AXL receptor tyrosine kinase, Aurora kinase B/Inner centromere protein, C-RAF, CaM kinase IV, Cyclin-dependent kinase, Cyclin-dependent kinase 2, Dual specificity mitogen-activated protein kinase kinase 1, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 2, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage colony stimulating factor receptor, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase kinase kinase 9, Myotonin-protein kinase, Neurotrophic tyrosine kinase receptor type 2, PAK1, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Polycystin-2, Receptor tyrosine-protein kinase erbB-4 (HER4), Ribosomal protein S6 kinase alpha 1, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase D1, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha, Tyrosine-protein kinase ABL, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and p21-Activated kinase 2 (PAK2), Uniprot L7RSL3, O14757, O14965, O75460, O96013, P00519, P00533, P04049, P04626, P06239, P06241, P07332, P07333, P07948, P07949, P08069, P08581, P09619, P10721, P11309, P16234, P17948, P21802, P24941, P29323, P30530, P35916, P35968, P36888, P42684, P43405, P49841, P50613, P51813, P52333, P53350, P53779, P80192, Q02750, Q06187, Q09013, Q13131, Q13153, Q13177, Q13563, Q15139, Q15303, Q15418, Q16566, Q16620, and Q96GD4
DOI: 10.7270/q26w9cnx
title: BindingDB Entry 50044654: Diarylureas as allosteric modulators of the cannabinoid CB1 receptor: structure-activity relationship studies on 1-(4-chlorophenyl)-3-{3-[6-(pyrrolidin-1-yl)pyridin-2-yl]phenyl}urea (PSNCBAM-1).

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2765h0z
title: BindingDB Entry 50045188: Structure-based optimization and biological evaluation of trisubstituted pyrazole as a core structure of potent ROS1 kinase inhibitors.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase ROS, Uniprot P08922
DOI: 10.7270/q27w6dwn
title: BindingDB Entry 50045631: Discovery of 1H-pyrazol-3(2H)-ones as potent and selective inhibitors of protein kinase R-like endoplasmic reticulum kinase (PERK).

description: Small molecule binding data for protein Eukaryotic translation initiation factor 2-alpha kinase 1, Eukaryotic translation initiation factor 2-alpha kinase 4, Interferon-induced, double-stranded RNA-activated protein kinase, Pancreatic endoplasmic reticulum kinase (PERK), RAF serine/threonine protein kinase, and Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha, Uniprot O75460, P15056, P19525, Q9BQI3, Q9NZJ5, and Q9P2K8
DOI: 10.7270/q28p62bk
title: BindingDB Entry 50046656: Rational Development of a Potent 15-Lipoxygenase-1 Inhibitor with in Vitro and ex Vivo Anti-inflammatory Properties.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Uniprot P16050
DOI: 10.7270/q2bz67ph
title: BindingDB Entry 50045187: Discovery of 9-(1-anilinoethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as PI3Kß/d inhibitors for the treatment of PTEN-deficient tumours.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2c24z6h
title: BindingDB Entry 50046146: The twin drug approach for novel nicotinic acetylcholine receptor ligands.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787, P30926, P32297, P43681, and Q05941
DOI: 10.7270/q2gm88z2
title: BindingDB Entry 50045186: Spongiapyridine and related spongians isolated from an Indonesian Spongia sp.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511