cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q28w3g4s
title: BindingDB Entry 50046803: Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma.

description: Small molecule binding data for protein C-RAF, Cytochrome P450 3A, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, SRC, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor, Uniprot L7RSL3, P04049, P06239, P06241, P08684, P09619, P10721, P12931, P15056, P17948, P35916, and P35968
DOI: 10.7270/q2c24z9v
title: BindingDB Entry 50047333: Recent progress on third generation covalent EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533, P04626, P21860, and Q15303
DOI: 10.7270/q2c82c20
title: BindingDB Entry 50046299: Polyketides witha-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1.

description: Small molecule binding data for protein Lysosomal alpha-glucosidase, Uniprot P10253
DOI: 10.7270/q2cv4kf1
title: BindingDB Entry 50045777: Potent Irreversible Inhibitors of LasR Quorum Sensing in Pseudomonas aeruginosa.

description: Small molecule binding data for protein Transcriptional activator protein lasR, Uniprot P25084
DOI: 10.7270/q2df6t58
title: BindingDB Entry 50047830: Pyrazolodiazepine derivatives with agonist activity toward Drosophila RYamide receptor.

description: Small molecule binding data for protein RYamide receptor
DOI: 10.7270/q2h133s9
title: BindingDB Entry 50046298: Novel 9-Alkyl- and 9-Alkylidene-Substituted 1a,25-Dihydroxyvitamin D3 Analogues: Synthesis and Biological Examinations.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P13053
DOI: 10.7270/q2hm5b5r
title: BindingDB Entry 50045776: Diphenylpyrazoles as replication protein a inhibitors.

description: Small molecule binding data for protein Replication protein A 70 kDa DNA-binding subunit, Uniprot P27694
DOI: 10.7270/q2j67jwk
title: BindingDB Entry 50047829: Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium Channel Blockers.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Voltage-gated T-type calcium channel, Voltage-gated calcium channel, and Voltage-gated potassium channel, Uniprot O43497, O95180, P08684, P10635, P11712, Q12809, Q13936, and Q9P0X4
DOI: 10.7270/q2jd4znb
title: BindingDB Entry 50046801: Nav1.7 Inhibitors: Potential Effective Therapy for the Treatment of Chronic Pain.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2ms3vjs
title: BindingDB Entry 50046297: SAR Studies of Exosite-Binding Substrate-Selective Inhibitors of A Disintegrin And Metalloprotease 17 (ADAM17) and Application as Selective in Vitro Probes.

description: Small molecule binding data for protein ADAM17, Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Matrix Metalloproteinase-8 (MMP-8), and Matrix metalloproteinase-14 (MMP14), Uniprot O14672, O77636, P08253, P14780, P22894, P50281, and P78536
DOI: 10.7270/q2nc62w2
title: BindingDB Entry 50045775: Melanocortin antagonist tetrapeptides with minimal agonist activity at the mouse melanocortin-3 receptor.

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/q2p55qbm
title: BindingDB Entry 50046800: Kynurenine Monooxygenase (KMO) Inhibitors for the Treatment of Acute Pancreatitis and Neurodegenerative Disorders.

description: Small molecule binding data for protein Kynurenine 3-monooxygenase, Uniprot O15229
DOI: 10.7270/q2s1847x
title: BindingDB Entry 50045774: Novel Pyridyloxadiazole Agonists of Sphingosin-1-phosphate.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2sq9298
title: BindingDB Entry 50047827: 1,2,4-Triazolyl 5-Azaspiro[2.4]heptanes: Lead Identification and Early Lead Optimization of a New Series of Potent and Selective Dopamine D3 Receptor Antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Muscarinic acetylcholine receptor, and Muscarinic acetylcholine receptor M1, Uniprot P05177, P08684, P10635, P11229, P11712, P14416, P20309, P21728, P21917, P33261, P35462, and P40989
DOI: 10.7270/q2st7rpr
title: BindingDB Entry 50046799: 1,4-Oxazineß-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 1 (BACE1), and Cytochrome P450 2D6 (2D6), Uniprot P10635, P56817, and P56818
DOI: 10.7270/q2v40x38
title: BindingDB Entry 50047337: Design, synthesis, biological evaluation and docking studies of novel 2-substituted-4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as dual PI3Ka/mTOR inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, PI3-kinase subunit alpha, and Serine/threonine-protein kinase mTOR, Uniprot P08581, P42336, and P42345
DOI: 10.7270/q2xk8hc1
title: BindingDB Entry 50046798: Synthesis and structure-activity relationship study of benzofuran-based chalconoids bearing benzylpyridinium moiety as potent acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P04058
DOI: 10.7270/q2zw1nst
title: BindingDB Entry 50047336: Design, synthesis, and evaluation of hinge-binder tethered 1,2,3-triazolylsalicylamide derivatives as Aurora kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein and Serine/threonine-protein kinase Aurora, Uniprot O14965 and Q96GD4
DOI: 10.7270/q20003wh
title: BindingDB Entry 50046302: Deepening the Topology of the Translocator Protein Binding Site by Novel N,N-Dialkyl-2-arylindol-3-ylglyoxylamides.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q20k2b8z
title: BindingDB Entry 50045780: Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q21c1zpn
title: BindingDB Entry 50046805: Oxopyrido[2,3-d]pyrimidines as Covalent L858R/T790M Mutant Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors.

description: Small molecule binding data for protein Dual specificity protein kinase TTK, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), JAK3/JAK1, Receptor tyrosine-protein kinase erbB-4 (HER4), Serine/threonine-protein kinase GAK, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase TXK (TXK), Uniprot O14976, P00533, P04626, P21860, P23458, P33981, P42681, P51451, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q23r0vn0
title: BindingDB Entry 50046301: Lanostane Triterpenes from the Tibetan Medicinal Mushroom Ganoderma leucocontextum and Their Inhibitory Effects on HMG-CoA Reductase anda-Glucosidase.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase, 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA), Acidic alpha-glucosidase, and alpha-Glucosidase (α-Glucosidase), Uniprot P04035, P23739, Q1W675, and Q6P7A9
DOI: 10.7270/q2542qdc
title: BindingDB Entry 50046804: Identification of Bidentate Salicylic Acid Inhibitors of PTP1B.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and Receptor-type tyrosine-protein phosphatase S, Uniprot P18031 and Q13332
DOI: 10.7270/q2833tqm
title: BindingDB Entry 50045778: Pure Diastereomers of a Tranylcypromine-Based LSD1 Inhibitor: Enzyme Selectivity and In-Cell Studies.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2b27x5g
title: BindingDB Entry 50047341: Approaching the active conformation of 1,3-diaminopyrimidine based covalent inhibitors of Bruton's tyrosine kinase for treatment of Rheumatoid arthritis.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2bv7jb3
title: BindingDB Entry 50045785: Discovery of Intestinal Targeted TGR5 Agonists for the Treatment of Type 2 Diabetes.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q80SS6 and Q8TDU6
DOI: 10.7270/q2cf9s2b
title: BindingDB Entry 50047838: Therapeutic Potential of Smurf-1 Inhibitors for the Treatment of Pulmonary Arterial Hypertension (PAH).

description: Small molecule binding data for protein E3 ubiquitin-protein ligase SMURF1
DOI: 10.7270/q2dn46wj
title: BindingDB Entry 50046802: RORc Modulators for the Treatment of Autoimmune Diseases.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449 and Q6I9R9
DOI: 10.7270/q2ft8nxx
title: BindingDB Entry 50047340: Fragment-based discovery of inhibitor scaffolds targeting the metallo-ß-lactamases NDM-1 and VIM-2.

description: Small molecule binding data for protein Metallo-beta-lactamase type 2, Uniprot C7C422
DOI: 10.7270/q2gm891c
title: BindingDB Entry 50045784: 2-Aryl-3-methyloctahydrophenanthrene-2,3,7-triols as potent dissociated glucocorticoid receptor agonists.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), Glucocorticoid receptor, and Progesterone receptor, Uniprot P03372, P04150, P06401, P10275, and Q92731
DOI: 10.7270/q2h70hs6
title: BindingDB Entry 50047837: Identification and optimization of a new series of anti-tubercular quinazolinones.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2kk9dp3
title: BindingDB Entry 50047339: A review on ROCK-II inhibitors: From molecular modelling to synthesis.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116 and Q13464
DOI: 10.7270/q2ks6t92
title: BindingDB Entry 50046305: High Affinity Dopamine D3 Receptor (D3R)-Selective Antagonists Attenuate Heroin Self-Administration in Wild-Type but not D3R Knockout Mice.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P28223, P28335, and P35462
DOI: 10.7270/q2n018hx
title: BindingDB Entry 50047836: Discovery of a Selective Phosphoinositide-3-Kinase (PI3K)-¿ Inhibitor (IPI-549) as an Immuno-Oncology Clinical Candidate.

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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-Kinase (PI3K), delta, p110α/p85α, and p110β/p85α, Uniprot O00329, P05177, P08684, P10632, P10635, P11712, P20813, P27986, P33261, P40989, P42336, P42338, P48736, and Q9JHG7
DOI: 10.7270/q2n58p67
title: BindingDB Entry 50046808: Design and synthesis of aloe-emodin derivatives as potent anti-tyrosinase, antibacterial and anti-inflammatory agents.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2qc05dc
title: BindingDB Entry 50047338: Discovery of biaryls as ROR¿ inverse agonists by using structure-based design.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma, Uniprot P35398, P51449, Q6I9R9, and Q92753
DOI: 10.7270/q2qj7k27
title: BindingDB Entry 50046304: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma.

description: Small molecule binding data for protein CYSLTR2, Cysteinyl leukotriene receptor, Cysteinyl leukotriene receptor 1, and Cysteinyl leukotriene receptor 2, Uniprot Q2NNR5, Q9NS75, and Q9Y271
DOI: 10.7270/q2r49sg1
title: BindingDB Entry 50045782: Allosteric modulators: an emerging concept in drug discovery.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q2rr217b
title: BindingDB Entry 50047835: Diversity-Oriented Synthesis as a Strategy for Fragment Evolution against GSK3ß.

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q2rx9dws
title: BindingDB Entry 50046807: Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor.

description: Small molecule binding data for protein Probable G-protein coupled receptor 139, Uniprot Q6DWJ6
DOI: 10.7270/q2v989t0
title: BindingDB Entry 50046303: Structural development of stabilized helical peptides as inhibitors of estrogen receptor (ER)-mediated transcription.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2vt1ttq
title: BindingDB Entry 50045781: Improved Synthesis of Biotinol-5'-AMP: Implications for Antibacterial Discovery.

description: Small molecule binding data for protein Biotin--protein ligase and BirA Bifunctional Protein, Uniprot P06709 and P50747
DOI: 10.7270/q2wh2rz8
title: BindingDB Entry 50047834: PPAR Agonists, Compounds, Pharmaceutical Compositions, and Methods of Use Thereof.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot Q03181
DOI: 10.7270/q2wm1g76
title: BindingDB Entry 50046806: Structure-Guided Design of Novel l-Cysteine Derivatives as Potent KSP Inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2086784
title: BindingDB Entry 50047841: Combined Interactions with I

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, and Imidazoline I1, Uniprot P08913, P18089, P18825, Q4G017, and Q4W594
DOI: 10.7270/q20c4xkq
title: BindingDB Entry 50046813: Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 1: SAR of modifications to the central aryl core.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1 and Metabotropic glutamate receptor 4 (mGluR4), Uniprot Q13255 and Q14833
DOI: 10.7270/q22n545k
title: BindingDB Entry 50047343: Synthesis, anti-inflammatory, analgesic and COX-1/2 inhibition activities of anilides based on 5,5-diphenylimidazolidine-2,4-dione scaffold: Molecular docking studies.

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/q22r3tfq
title: BindingDB Entry 50046316: Design, synthesis, and biological evaluation of a series of alkoxy-3-indolylacetic acids as peroxisome proliferator-activated receptor¿/d agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q23b61vw
title: BindingDB Entry 50045787: Discovery and optimization of a novel series of Dyrk1B kinase inhibitors to explore a MEK resistance hypothesis.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Dual specificity protein kinase TTK, Dual specificity tyrosine-phosphorylation-regulated kinase 4, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-regulated kinases 1B, and Insulin-like growth factor I receptor, Uniprot P08069, P24941, P33981, Q13627, Q92630, Q9NR20, and Q9Y463
DOI: 10.7270/q23x88m8
title: BindingDB Entry 50047840: Concise SAR Exploration Based on the"Head-to-Tail" Approach: Discovery of PI4KIIIa Inhibitors Bearing Diverse Scaffolds.

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Uniprot P42336 and P42338
DOI: 10.7270/q2445p80
title: BindingDB Entry 50046812: Acyl dihydropyrazolo[1,5-a]pyrimidinones as metabotropic glutamate receptor 5 positive allosteric modulators.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, GRM7, GRM8, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, and metabotropic glutamate 1c, Uniprot O00222, O15303, P05177, P08684, P10635, P11712, P31424, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q26975gk
title: BindingDB Entry 50047342: Development of thieno- and benzopyrimidinone inhibitors of the Hedgehog signaling pathway reveals PDE4-dependent and PDE4-independent mechanisms of action.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q26h4k5f
title: BindingDB Entry 50046315: Design, synthesis and biological evaluation of bivalent benzoxazolone and benzothiazolone ligands as potential anti-inflammatory/analgesic agents.

description: Small molecule binding data for protein Nitric Oxide Synthase, inducible, Uniprot P29477
DOI: 10.7270/q2736smp
title: BindingDB Entry 50045786: A novel cell-permeable, selective, and noncompetitive inhibitor of KAT3 histone acetyltransferases from a combined molecular pruning/classical isosterism approach.

description: Small molecule binding data for protein CREB-binding protein/p53, Histone acetyltransferase PCAF, and Histone acetyltransferase p300, Uniprot Q09472, Q92793, and Q92831
DOI: 10.7270/q27p91b0
title: BindingDB Entry 50047839: Discovery of a Series of 5,11-Dihydro-6

description: Small molecule binding data for protein Aurora kinase A/B, Aurora kinase A/Targeting protein for Xklp2, Bromodomain-containing protein 4, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot O00329, O14965, O60885, P42336, P42338, P48736, and Q96GD4
DOI: 10.7270/q27w6f0d
title: BindingDB Entry 50046811: Targeting EGFR/HER2 tyrosine kinases with a new potent series of 6-substituted 4-anilinoquinazoline hybrids: Design, synthesis, kinase assay, cell-based assay, and molecular docking.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), and SRC, Uniprot P00533, P04626, and P06239
DOI: 10.7270/q2b859v9
title: BindingDB Entry 50046307: Evaluation of histone deacetylase inhibitors (HDACi) as therapeutic leads for human African trypanosomiasis (HAT).

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/q2cn75qq
title: BindingDB Entry 50046810: Hybrids from 4-anilinoquinazoline and hydroxamic acid as dual inhibitors of vascular endothelial growth factor receptor-2 and histone deacetylase.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 8, and Vascular endothelial growth factor receptor 2, Uniprot A0A024QZ26, O15379, P35968, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2g162k1
title: BindingDB Entry 50046306: Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha and Hypoxia-inducible factor 1-alpha, Uniprot Q16665 and Q99814
DOI: 10.7270/q2hd7xgh
title: BindingDB Entry 50046809: Synthesis and evaluation of aporphine analogs containing C1 allyl isosteres at the h5-HT(2A) receptor.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine receptor, Histamine H2 receptor, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin receptor (2b and 2c), Sigma, Sodium-dependent dopamine transporter, and Translocator protein, Uniprot P08912, P08913, P18089, P18825, P21728, P25021, P28221, P28222, P28223, P28335, P28566, P30536, P34969, P35462, P41595, P46098, P50406, Q01959, Q4W594, and Q99720
DOI: 10.7270/q2m047d0
title: BindingDB Entry 50047844: Partial Activation and Inhibition of TRPV1 Channels by Evodiamine and Rutaecarpine, Two Major Components of the Fruits of Evodia rutaecarpa.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2mc91rp
title: BindingDB Entry 50045783: Treating pain with somatostatin receptor subtype 4 agonists.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2pc3480
title: BindingDB Entry 50047346: New IKK inhibitors: Synthesis of new imidazo[1,2-a]quinoxaline derivatives using microwave assistance and biological evaluation as IKK inhibitors.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2qr503z
title: BindingDB Entry 50047843: Discovery of a sulfamate-based steroid sulfatase inhibitor with intrinsic selective estrogen receptor modulator properties.

description: Small molecule binding data for protein Steryl-sulfatase, Uniprot P08842
DOI: 10.7270/q2t43w0b
title: BindingDB Entry 50047345: Design, synthesis and biological evaluation of N,N-3-phenyl-3-benzylaminopropanamide derivatives as novel cholesteryl ester transfer protein inhibitor.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597 and P22687
DOI: 10.7270/q2tb18p5
title: BindingDB Entry 50046318: From AChE to BACE1 inhibitors: The role of the amine on the indanone scaffold.

description: Small molecule binding data for protein Acetylcholinesterase and Beta-secretase 1, Uniprot P22303 and P56817