cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q28w3g1f
title: BindingDB Entry 50045801: Structure-activity relationship and properties optimization of a series of quinazoline-2,4-diones as inhibitors of the canonical Wnt pathway.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a) and Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b), Uniprot O95271 and Q9H2K2
DOI: 10.7270/q29g5pr8
title: BindingDB Entry 50047854: The"Cyclopropyl Fragment" is a Versatile Player that Frequently Appears in Preclinical/Clinical Drug Molecules.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Delta-type opioid receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, HMG-CoA reductase, Hepatocyte growth factor receptor, Kappa-type opioid receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage-stimulating protein receptor, Mu-type opioid receptor, NT-3 growth factor receptor, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, SRC, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Tyrosine-protein kinase receptor UFO, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot L7RSL3, P04629, P06239, P07949, P08581, P09619, P10721, P11362, P16234, P17948, P30530, P35372, P35916, P35968, P36888, P41143, P41145, P51639, P53350, Q02763, Q04912, Q07343, Q16288, Q16620, and Q2NNR5
DOI: 10.7270/q29p33gz
title: BindingDB Entry 50046826: Tacrine-Trolox Hybrids: A Novel Class of Centrally Active, Nonhepatotoxic Multi-Target-Directed Ligands Exerting Anticholinesterase and Antioxidant Activities with Low In Vivo Toxicity.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2cv4knq
title: BindingDB Entry 50047356: Design, synthesis and in vitro evaluation studies of sulfonyl-amino-acetamides as small molecule BACE-1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2d220d5
title: BindingDB Entry 50046329: Synthesis and characterization of novel oxazines and demonstration that they specifically target cyclooxygenase 2.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2ht2r3r
title: BindingDB Entry 50046328: Discovery of imidazo[1,5-a]pyridines and -pyrimidines as potent and selective RORc inverse agonists.

description: Small molecule binding data for protein Bile acid receptor FXR, Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, Peroxisome proliferator-activated receptor, and Pregnane X receptor (PXR), Uniprot O75469, P35398, P37231, P51449, P55055, Q13133, Q6I9R9, Q92753, and Q96RI1
DOI: 10.7270/q2k64kw5
title: BindingDB Entry 50046824: Evaluation of Improved Glycogen Synthase Kinase-3a Inhibitors in Models of Acute Myeloid Leukemia.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840 and P49841
DOI: 10.7270/q2n58p2f
title: BindingDB Entry 50045806: Design, synthesis and biological evaluation of pyridazino[3,4,5-de]quinazolin-3(2H)-one as a new class of PARP-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2ns0wvd
title: BindingDB Entry 50047859: N-(2-Alkyleneimino-3-phenylpropyl)acetamide Compounds and Their Use against Pain and Pruritus via Inhibition of TRPA1 Channels.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2nz89fr
title: BindingDB Entry 50046831: Ethynylphenyl carbonates and carbamates as dual-action acetylcholinesterase inhibitors and anti-inflammatory agents.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2r49sn8
title: BindingDB Entry 50047361: Discovery of Potent and Orally Active Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors as a Potential Therapy for Diabetic Macular Edema.

description: Small molecule binding data for protein LDL-associated phospholipase A2, Uniprot Q13093
DOI: 10.7270/q2sj1nk4
title: BindingDB Entry 50047858: Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3ß inhibitors.

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q2sq926x
title: BindingDB Entry 50046830: Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases.

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, Myeloperoxidase (MPO), and Thyroid peroxidase (TPO), Uniprot P05164, P05177, P07202, P08684, P10632, P10635, P11712, P20813, and P33261
DOI: 10.7270/q2vx0jdp
title: BindingDB Entry 50047360: MutT Homolog 1 (MTH1): The Silencing of a Target.

description: Small molecule binding data for protein MutT homolog 1 protein (MTH1), Uniprot P36639
DOI: 10.7270/q2x92d8d
title: BindingDB Entry 50047857: Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P37136
DOI: 10.7270/q2xg9sz9
title: BindingDB Entry 50046829: Synthesis of natural phaeosphaeride A derivatives and an in vitro evaluation of their anti-cancer potential.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2125vmx
title: BindingDB Entry 50047864: Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot A0SYQ0 and O14684
DOI: 10.7270/q23f4rk8
title: BindingDB Entry 50047366: Selective inhibitors of Bcl-2 and Bcl-xL: Balancing antitumor activity with on-target toxicity.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl-xL/BAK, Uniprot P10415 and Q07817
DOI: 10.7270/q24m9690
title: BindingDB Entry 50046331: Biaryls as potent, tunable dual neurokinin 1 receptor antagonists and serotonin transporter inhibitors.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P14600 and P25103
DOI: 10.7270/q24t6mbb
title: BindingDB Entry 50047863: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q251412b
title: BindingDB Entry 50046835: Interaction of carbonic anhydrase isozymes I, II, and IX with some pyridine and phenol hydrazinecarbothioamide derivatives.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q28054b4
title: BindingDB Entry 50045809: Current kinase inhibitors cover a tiny fraction of fragment space.

description: Small molecule binding data for protein Ephrin type-B receptor 4 (EphB4), Uniprot P54760 and Q541P7
DOI: 10.7270/q28k7c1m
title: BindingDB Entry 50047862: Identification of (R)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyridin-2-yl)-4-methyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone (JNJ 54166060), a Small Molecule Antagonist of the P2X7 receptor.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, P2X purinoceptor 7, and P2X purinoceptor 7 (P2X7), Uniprot P05177, P08684, P10632, P10635, P11712, P33261, P40989, Q64663, Q99572, and Q9Z1M0
DOI: 10.7270/q28p62c1
title: BindingDB Entry 50046834: 1,3-Disubstituted and 1,3,3-trisubstituted adamantyl-ureas with isoxazole as soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2bz67z3
title: BindingDB Entry 50047364: Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.

description: Small molecule binding data for protein Mammalian target of Rapamycin (mTORC1) and Peptidyl-prolyl cis-trans isomerase FKBP5, Uniprot P62942 and Q13451
DOI: 10.7270/q2cn75mc
title: BindingDB Entry 50045808: Structure activity relationship of substituted 1,5-naphthyridine analogs of oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents (Part-4).

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2d79dc2
title: BindingDB Entry 50047861: Discovery of Clinical Candidate CEP-37440, a Selective Inhibitor of Focal Adhesion Kinase (FAK) and Anaplastic Lymphoma Kinase (ALK).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, ALK tyrosine kinase receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, and Insulin receptor, Uniprot P05177, P06213, P08684, P10635, P11712, P33261, P40989, Q05397, and Q9UM73
DOI: 10.7270/q2df6t1g
title: BindingDB Entry 50046833: Selective Allosteric Antagonists for the G Protein-Coupled Receptor GPRC6A Based on the 2-Phenylindole Privileged Structure Scaffold.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), Calcium sensing receptor, G-protein coupled receptor family C group 6 member A, Metabotropic glutamate receptor, and Muscarinic acetylcholine receptor, Uniprot P20309, P28335, P31424, P48442, and Q8K4Z6
DOI: 10.7270/q2gq70nc
title: BindingDB Entry 50047363: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.

description: Small molecule binding data for protein Branched-chain-amino-acid aminotransferase, mitochondrial, Uniprot O15382
DOI: 10.7270/q2gt5pzz
title: BindingDB Entry 50046336: Synthesis of novel derivatives of oxindole, their urease inhibition and molecular docking studies.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2hd7xbq
title: BindingDB Entry 50045807: Synthesis and identification of unprecedented selective inhibitors of CK1e.

description: Small molecule binding data for protein Casein kinase I delta/epsilon, Uniprot P49674
DOI: 10.7270/q2j1053b
title: BindingDB Entry 50047860: Design and Synthesis of Pyridone-Containing 3,4-Dihydroisoquinoline-1(2H)-ones as a Novel Class of Enhancer of Zeste Homolog 2 (EZH2) Inhibitors.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH2, Uniprot Q15910
DOI: 10.7270/q2j67jqb
title: BindingDB Entry 50046832: Synthesis of donepezil-based multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2mc91xx
title: BindingDB Entry 50047362: Exploiting the Chromone Scaffold for the Development of Inhibitors of Corticosteroid Biosynthesis.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 17A1, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P11511, P15538, and P19099
DOI: 10.7270/q2mk6fn7
title: BindingDB Entry 50046335: Design, synthesis and evaluation of MCH receptor 1 antagonists--Part II: Optimization of pyridazines toward reduced phospholipidosis and hERG inhibition.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Melanin-concentrating hormone receptor, Muscarinic acetylcholine receptor M1, and Voltage-gated potassium channel, Uniprot P11229, P28223, Q12809, and Q99705
DOI: 10.7270/q2rb76cz
title: BindingDB Entry 50046334: New 4-[(3-cyclohexyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, 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/q2rx9dsf
title: BindingDB Entry 50045805: Synthesis and biological evaluation of novel pyrazoline derivatives as potent anti-inflammatory agents.

description: Small molecule binding data for protein Nitric Oxide Synthase, inducible, Uniprot P29477
DOI: 10.7270/q2w37z39
title: BindingDB Entry 50046333: Synthesis and carbonic anhydrase inhibitory properties of novel uracil derivatives.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2w95c41
title: BindingDB Entry 50047865: Synthesis and Antiobesity Properties of 6-(4-Chlorophenyl)-3-(4-((3,3-difluoro-1-hydroxycyclobutyl)methoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one (BMS-814580): A Highly Efficacious Melanin Concentrating Hormone Receptor 1 (MCHR1) Inhibitor.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor and Melanin-concentrating hormone receptor 1, Uniprot Q99705
DOI: 10.7270/q2wq05hq
title: BindingDB Entry 50045804: Identification of 4-(4-nitro-2-phenethoxyphenyl)pyridine as a promising new lead for discovering inhibitors of both human and rat 11ß-Hydroxylase.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B1, Cytochrome P450 11B2, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P11511, P15393, P15538, and P19099
DOI: 10.7270/q20g3mwp
title: BindingDB Entry 50045811: Synthesis of Schiff base derivatives of 4-(2-aminoethyl)-benzenesulfonamide with inhibitory activity against carbonic anhydrase isoforms I, II, 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/q21838c2
title: BindingDB Entry 50046836: The use of porcupine inhibitors to target Wnt-driven cancers.

description: Small molecule binding data for protein Protein-cysteine N-palmitoyltransferase porcupine and Protein-serine O-palmitoleoyltransferase porcupine, Uniprot Q9H237 and Q9JJJ7
DOI: 10.7270/q23n2555
title: BindingDB Entry 50046339: Novel (pyrazolyl)benzenesulfonamides with a nitric oxide-releasing moiety as selective cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q23t9k5h
title: BindingDB Entry 50047871: Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locke

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, SRC, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase TEC, Tyrosine-protein kinase TXK (TXK), and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P05177, P06239, P08684, P10632, P10635, P11712, P12931, P20813, P33261, P35991, P40989, P42680, P42681, P51451, P51813, Q06187, and Q08881
DOI: 10.7270/q2474cmd
title: BindingDB Entry 50045810: Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2765h8j
title: BindingDB Entry 50047365: Discovery and modelling studies of natural ingredients from Gaultheria yunnanensis (FRANCH.) against phosphodiesterase-4.

description: Small molecule binding data for protein Phosphodiesterase 9A, Phosphodiesterase, PDE1/PDE5, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O76074, O76083, Q01064, Q08499, and Q9Y233
DOI: 10.7270/q27d2wxj
title: BindingDB Entry 50046338: Discovery of an 8-methoxytetrahydroisoquinoline derivative as an orally active N-type calcium channel blocker for neuropathic pain without CYP inhibition liability.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Voltage-gated potassium channel, Uniprot P05177, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q27m09wc
title: BindingDB Entry 50047870: Discovery of 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 Receptor Positive Allosteric Modulator (PAM).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Metabotropic glutamate receptor 2 (mGluR2), Uniprot P05177, P08684, P10632, P10635, P11712, P33261, and Q14416
DOI: 10.7270/q2c53nmt
title: BindingDB Entry 50046337: Fluorescent photoaffinity probes for mitotic protein kinase Aurora A.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Uniprot O14965
DOI: 10.7270/q2cj8g9d
title: BindingDB Entry 50046841: Discovery of novel 5-fluoro-N(2),N(4)-diphenylpyrimidine-2,4-diamines as potent inhibitors against CDK2 and CDK9.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P24864, P24941, and P50750
DOI: 10.7270/q2gf0w7b
title: BindingDB Entry 50045815: Pancreatic lipase inhibitory constituents from Morus alba leaves and optimization for extraction conditions.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P00591
DOI: 10.7270/q2h1340d
title: BindingDB Entry 50047868: Structure-Activity Relationships and Kinetic Studies of Peptidic Antagonists of CBX Chromodomains.

description: Small molecule binding data for protein Chromobox protein homolog 1, Chromobox protein homolog 2, Chromobox protein homolog 3, Chromobox protein homolog 5, Chromobox protein homolog 6, Chromobox protein homolog 7, Chromobox protein homolog 8, Chromodomain Y-like protein, Chromodomain Y-like protein 2, E3 SUMO-protein ligase CBX4, and Testis-specific chromodomain protein Y 1, Uniprot O00257, O95503, O95931, P83916, Q14781, and Q9HC52
DOI: 10.7270/q2h70hpv
title: BindingDB Entry 50046840: Discovery of a new class of histone deacetylase inhibitors with a novel zinc binding group.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 8, Uniprot Q13547 and Q9BY41
DOI: 10.7270/q2kh0q6f
title: BindingDB Entry 50047370: Identification of new quinic acid derivatives as histone deacetylase inhibitors by fluorescence-based cellular assay.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2m61mzn
title: BindingDB Entry 50045814: N-Oxide derivatives of 3-(3-pyridyl)-2-phosphonopropanoic acids as potential inhibitors of Rab geranylgeranylation.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2ms3vq1
title: BindingDB Entry 50047867: Bioactive diterpenoids from Trigonostemon chinensis: Structures, NO inhibitory activities, and interactions with iNOS.

description: Small molecule binding data for protein Nitric Oxide Synthase, inducible, Uniprot P29477
DOI: 10.7270/q2n018c4
title: BindingDB Entry 50046839: Inhibitory kinetics of novel 2,3-dihydro-1H-inden-1-one chalcone-like derivatives on mushroom tyrosinase.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2q52rjw
title: BindingDB Entry 50047369: Piperidine derivatives as nonprostanoid IP 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, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34995, P35408, P43088, P43115, P43116, and P43119
DOI: 10.7270/q2qc058k
title: BindingDB Entry 50046342: Pharmacological profile of zacopride and new quaternarized fluorobenzamide analogues on mammaliana7 nicotinic acetylcholine receptor.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2qz2cp2
title: BindingDB Entry 50045813: Structure-activity relationships of the prototypical TRPM8 agonist icilin.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8) and Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1 and Q8R455
DOI: 10.7270/q2rj4md9
title: BindingDB Entry 50047866: Structural determinants of diphenethylamines for interaction with the¿ opioid receptor: Synthesis, pharmacology and molecular modeling studies.

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/q2rr213j
title: BindingDB Entry 50046838: Further Optimization and Evaluation of Bioavailable, Mixed-Efficacyµ-Opioid Receptor (MOR) Agonists/d-Opioid Receptor (DOR) Antagonists: Balancing MOR and DOR Affinities.

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P41145
DOI: 10.7270/q2tx3h89
title: BindingDB Entry 50047368: Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective fragment-screening hit.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 4, Neurotrophic tyrosine kinase receptor, and Tyrosine-protein kinase receptor FLT3, Uniprot O95819, P04629, and P36888
DOI: 10.7270/q2v40wz2
title: BindingDB Entry 50046341: Design and synthesis of new barbituric- and thiobarbituric acid derivatives as potent urease inhibitors: Structure activity relationship and molecular modeling studies.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2vq34ds
title: BindingDB Entry 50045812: New quinolone- and 1,8-naphthyridine-3-carboxamides as selective CB2 receptor agonists with anticancer and immuno-modulatory activity.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot P20272, P21554, and P34972