cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m045jz
title: BindingDB Entry 50031217: Natural ortho-dihydroxyisoflavone derivatives from aged Korean fermented soybean paste as potent tyrosinase and melanin formation inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot P11344
DOI: 10.7270/q2m32vzw
title: BindingDB Entry 50032185: N-tetrahydrothiochromenoisoxazole-1-carboxamides as selective antagonists of cloned human 5-HT2B.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P28223, P28335, P31645, P41595, and Q01959
DOI: 10.7270/q2pr7w35
title: BindingDB Entry 50031225: Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 2.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q2pv6kcp
title: BindingDB Entry 50030237: Discovery of the first selective inhibitor of excitatory amino acid transporter subtype 1.

description: Small molecule binding data for protein Excitatory Amino Acid EAAT2, Excitatory amino acid transporter 1, and Excitatory amino acid transporter 3, Uniprot P24942, P43003, P43004, and P43005
DOI: 10.7270/q2q52px0
title: BindingDB Entry 50033020: Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.

description: Small molecule binding data for protein MAP kinase ERK2, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, and c-Jun N-terminal kinase, JNK, Uniprot P28482, P45983, P45984, P53779, and Q16539
DOI: 10.7270/q2qr4x7j
title: BindingDB Entry 50031216: 2,3-Diaminopyrazines as rho kinase inhibitors.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116 and Q13464
DOI: 10.7270/q2qr4xbw
title: BindingDB Entry 50032183: Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin L1, and Rhodesain, Uniprot P07711 and P07858
DOI: 10.7270/q2sn0901
title: BindingDB Entry 50030246: Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10632, P10635, P11712, and P33261
DOI: 10.7270/q2th8mtg
title: BindingDB Entry 50031224: Molecular modeling study of 4-phenylpiperazine and 4-phenyl-1,2,3,6-tetrahydropyridine derivatives: a new step towards the design of high-affinity 5-HT1A ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and 5-hydroxytryptamine receptor 1A, Uniprot P08908 and P34969
DOI: 10.7270/q2tm7b3d
title: BindingDB Entry 50030235: Biomedical application of orexin/hypocretin receptor ligands in neuroscience.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2tx3fpv
title: BindingDB Entry 50033019: Novel dihydrothieno[2,3-e]indazole derivatives as I¿B kinase inhibitors.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920 and O15111
DOI: 10.7270/q2vh5p15
title: BindingDB Entry 50032182: Synthesis, biological evaluation, and docking studies of novel heterocyclic diaryl compounds as selective COX-2 inhibitors.

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/q2z89cj6
title: BindingDB Entry 50031223: Development of substituted 6-[4-fluoro-3-(piperazin-1-ylcarbonyl)benzyl]-4,5-dimethylpyridazin-3(2H)-ones as potent poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors active in BRCA deficient cells.

description: Small molecule binding data for protein Voltage-gated potassium channel and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and Q12809
DOI: 10.7270/q2zc82v5
title: BindingDB Entry 50030234: Discovery of imidazo[1,2-b]thiazole derivatives as novel SIRT1 activators.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, NAD-Dependent Deacetylase Sirtuin-1, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P08172, P08913, P11229, P23975, Q12809, and Q96EB6
DOI: 10.7270/q2zp46dk
title: BindingDB Entry 50033018: 4-aminopyrimidine-5-carbaldehyde oximes as potent VEGFR-2 inhibitors. Part II.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P07333, P07949, P10721, P16234, P17948, P35916, P35968, and P36888
DOI: 10.7270/q2154h28
title: BindingDB Entry 50030252: 2-Aryloxymethylmorpholine histamine H(3) antagonists.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q2222tw8
title: BindingDB Entry 50031230: Discovery of carmegliptin: a potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2319w3d
title: BindingDB Entry 50032189: Novel pyrrolidine heterocycles as CCR1 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 1, Uniprot P32246
DOI: 10.7270/q24x57s8
title: BindingDB Entry 50030251: The identification of neurotensin NTS1 receptor partial agonists through a ligand-based virtual screening approach.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P30989
DOI: 10.7270/q25t3kmp
title: BindingDB Entry 50031229: Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q28p60h0
title: BindingDB Entry 50030250: A diaminocyclohexyl analog of SNS-032 with improved permeability and bioavailability properties.

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, and Cyclin-dependent kinase 9, Uniprot P06493, P24941, P50613, and P50750
DOI: 10.7270/q28w3dm7
title: BindingDB Entry 50033033: 1-((3S,4S)-4-amino-1-(4-substituted-1,3,5-triazin-2-yl) pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one inhibitors of DPP-4 for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase III, Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Endopeptidase prolyl oligopeptidase (PREP), and Fibroblast activation protein alpha, Uniprot P05177, P08684, P10635, P11712, P14740, P27487, P48147, Q12884, Q6V1X1, Q86TI2, Q9NY33, and Q9UHL4
DOI: 10.7270/q29k4bbd
title: BindingDB Entry 50031228: Molecular design of small organic molecules based on structural information for a conformationally constrained peptide that binds to G-CSF receptor.

description: Small molecule binding data for protein Granulocyte colony stimulating factor receptor, Uniprot Q99062
DOI: 10.7270/q29k4bfr
title: BindingDB Entry 50032195: Facile synthesis of octahydrobenzo[h]isoquinolines: novel and highly potent D1 dopamine agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Kappa-type opioid receptor, and Serotonin 3 (5-HT3) receptor, Uniprot P08913, P14416, P18089, P18825, P21728, P21917, P21918, P34969, P35348, P35462, P41145, P46098, and Q4W594
DOI: 10.7270/q29w0frm
title: BindingDB Entry 50033023: Phellinstatin, a new inhibitor of enoyl-ACP reductase produced by the medicinal fungus Phellinus linteus.

description: Small molecule binding data for protein Enoyl-ACP reductase
DOI: 10.7270/q2df6r7b
title: BindingDB Entry 50030249: Interaction of kendomycin and semi-synthetic analogues with the anti-apoptotic protein Bcl-xl.

description: Small molecule binding data for protein Bcl-xL/BAK, Uniprot Q07817
DOI: 10.7270/q2dn45bz
title: BindingDB Entry 50033032: KDR inhibitor with the intramolecular non-bonded interaction: conformation-activity relationships of novel indole-3-carboxamide derivatives.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2fb531p
title: BindingDB Entry 50031227: Identification and SAR of novel pyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1).

description: Small molecule binding data for protein Voltage-gated potassium channel and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and Q12809
DOI: 10.7270/q2fb535g
title: BindingDB Entry 50032194: Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Sodium channel alpha subunit, Uniprot P08684, P10635, P11712, and Q15858
DOI: 10.7270/q2j38sp4
title: BindingDB Entry 50031234: Piperidine-based heterocyclic oxalyl amides as potent p38alpha MAP kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2j67gzn
title: BindingDB Entry 50030248: Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Glycogen synthase kinase-3, and Vascular endothelial growth factor receptor 2, Uniprot P11802, P24941, P35968, and P49841
DOI: 10.7270/q2jd4x3r
title: BindingDB Entry 50033031: Efficient synthesis of triazole moiety-containing nucleotide analogs and their inhibitory effects on a malic enzyme.

description: Small molecule binding data for protein NADP-dependent malic enzyme, Uniprot P76558
DOI: 10.7270/q2k074dk
title: BindingDB Entry 50031226: Tricyclic dihydroquinazolinones as novel 5-HT2C selective and orally efficacious anti-obesity agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin receptor (2b and 2c), and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P05177, P08684, P08909, P10635, P11712, P28223, P28335, P33261, and P41595
DOI: 10.7270/q2k35tvz
title: BindingDB Entry 50032193: The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2ns0v17
title: BindingDB Entry 50031233: Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P08908, P23975, P31645, and Q01959
DOI: 10.7270/q2nz87nm
title: BindingDB Entry 50030247: Anthracene based compounds as new L-type Ca2+ channel blockers: design, synthesis, and full biological profile.

description: Small molecule binding data for protein Voltage-gated L-type calcium channel alpha-1C subunit, Uniprot Q01815
DOI: 10.7270/q2p55nt2
title: BindingDB Entry 50033029: Towards more specific O6-methylguanine-DNA methyltransferase (MGMT) inactivators.

description: Small molecule binding data for protein 6-O-methylguanine-DNA methyltransferase, Uniprot P16455
DOI: 10.7270/q2pv6kjx
title: BindingDB Entry 50032192: Substituted biaryl pyrazoles as sodium channel blockers.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Pregnane X receptor (PXR), and Sodium channel alpha subunit, Uniprot O75469, P08684, P10635, P11712, and Q15858
DOI: 10.7270/q2rr1z74
title: BindingDB Entry 50030255: Tetrakis-azaaromatic quaternary ammonium salts: novel subtype-selective antagonists at neuronal nicotinic receptors that mediate nicotine-evoked dopamine release.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot P09483 and Q05941
DOI: 10.7270/q2sj1kq3
title: BindingDB Entry 50031232: Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2sx6djg
title: BindingDB Entry 50033028: Synthesis and evaluation of [(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexanes and 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidines as DPP-4 inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Fibroblast activation protein alpha, Uniprot P27487, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2th8mxt
title: BindingDB Entry 50032191: Synthesis and evaluation of amides surrogates of dopamine D3 receptor ligands.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35348, and P35462
DOI: 10.7270/q2x92bdc
title: BindingDB Entry 50031231: Synthesis and evaluation of two series of 4'-aza-carbocyclic nucleosides as adenosine A2A receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2xd11pw
title: BindingDB Entry 50030245: A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution.

description: Small molecule binding data for protein Luciferin 4-monooxygenase, Uniprot P08659 and Q27757
DOI: 10.7270/q2xp7586
title: BindingDB Entry 50033027: Synthesis and SAR of sulfoxide substituted carboxyquinolines as NK3 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 3 receptor, Uniprot P29371
DOI: 10.7270/q2z89cm3
title: BindingDB Entry 50032190: The discovery of an orally efficacious positive allosteric modulator of the calcium sensing receptor containing a dibenzylamine core.

description: Small molecule binding data for protein Calcium-sensing receptor (CaSR), Uniprot P41180
DOI: 10.7270/q2057fzx
title: BindingDB Entry 50030261: Fragment and knowledge-based design of selective GSK-3beta inhibitors using virtual screening models.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2125ssb
title: BindingDB Entry 50031239: Synthesis and hSERT activity of homotryptamine analogs. Part 6: [3+2] dipolar cycloaddition of 3-vinylindoles.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q21g0mkt
title: BindingDB Entry 50033035: Cofactor-type inhibitors of inosine monophosphate dehydrogenase via modular approach: targeting the pyrophosphate binding sub-domain.

description: Small molecule binding data for protein Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) and Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2), Uniprot P12268 and P20839
DOI: 10.7270/q2222tz5
title: BindingDB Entry 50032197: Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1b receptor, Vasopressin V2 receptor (V2), and Vasopressin receptor, Uniprot P30518, P30559, P47901, and P48974
DOI: 10.7270/q23x86nw
title: BindingDB Entry 50030260: TBA

description: Small molecule binding data for protein Phosphodiesterase 1A (PDE1A), Uniprot P54750
DOI: 10.7270/q24t6jhr
title: BindingDB Entry 50031238: Design and synthesis of selective inhibitors of placental alkaline phosphatase.

description: Small molecule binding data for protein Alkaline phosphatase placental-like, Alkaline phosphatase, tissue-nonspecific isozyme, Intestinal alkaline phosphatase, and Phospholipase A-2-activating protein, Uniprot P05186, P09923, P10696, and Q9Y263
DOI: 10.7270/q24t6jkn
title: BindingDB Entry 50032206: Specificity and mechanism of action of some commonly used protein kinase inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Glycogen synthase kinase-3, MAP kinase p38, MAP kinase-activated protein kinase 2, MAP kinase-activated protein kinase 5, Mitogen-activated protein kinase 14, Myosin light chain kinase, smooth muscle, PI3-kinase p110-alpha subunit, Protein kinase C alpha type, Protein kinase N2, Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), Rho-associated protein kinase 2 (ROCK II), Ribosomal protein S6 kinase (P70S6K), and Ribosomal protein S6 kinase alpha 5, Uniprot O75582, P11799, P17252, P23443, P31749, P32871, P49137, P49841, Q15118, Q15759, Q16513, Q16539, Q62868, and Q8IW41
DOI: 10.7270/q2571c9j
title: BindingDB Entry 50033034: N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Stearoyl-CoA desaturase 1, Stearoyl-CoA desaturase 1 (SCD1), and Voltage-gated potassium channel, Uniprot O00767, P05177, P07308, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q25t3kpk
title: BindingDB Entry 50032196: Identification of small molecule compounds with higher binding affinity to guanine deaminase (cypin) than guanine.

description: Small molecule binding data for protein Guanine deaminase, Uniprot Q9Y2T3
DOI: 10.7270/q27p8zc7
title: BindingDB Entry 50030259: TBA

description: Small molecule binding data for protein DNA polymerase (alpha/delta/epsilon) and DNA polymerase beta, Uniprot P06746 and P09884
DOI: 10.7270/q28052wg
title: BindingDB Entry 50033043: Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q28k797g
title: BindingDB Entry 50031237: Click synthesis of estradiol-cyclodextrin conjugates as cell compartment selective estrogens.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q28k799c
title: BindingDB Entry 50032205: Topsentinols, 24-isopropyl steroids from the marine sponge Topsentia sp.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2cc10tz
title: BindingDB Entry 50031245: Triazoloacridin-6-ones as novel inhibitors of the quinone oxidoreductases NQO1 and NQO2.

description: Small molecule binding data for protein Quinone reductase 1) and Ribosyldihydronicotinamide dehydrogenase [quinone], Uniprot P15559 and P16083
DOI: 10.7270/q2cf9q3z
title: BindingDB Entry 50030258: Azaflavones compared to flavones as ligands to the benzodiazepine binding site of brain GABA(A) receptors.

description: Small molecule binding data for protein GABA A receptor alpha-3/beta-2/gamma-2, GABA A receptor alpha-5/beta-3/gamma-2, GABA(A) receptor subunit alpha-2, and Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1), Uniprot P19969, P20236, P23576, and P62813
DOI: 10.7270/q2cn746k
title: BindingDB Entry 50033041: Synthesis, biological evaluation and molecular docking studies of stellatin derivatives as cyclooxygenase (COX-1, COX-2) inhibitors and anti-inflammatory agents.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2db820n
title: BindingDB Entry 50031236: Labeled 3-aryl-4-indolylmaleimide derivatives and their potential as angiogenic PET biomarkers.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin-like growth factor I receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase Kit (Kit), Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot L7RSL3, P00533, P04626, P08069, P09619, P10721, P16234, P17948, P35916, P35968, and Q02763
DOI: 10.7270/q2h41rkr
title: BindingDB Entry 50031244: Oxime carbamate--discovery of a series of novel FAAH inhibitors.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q2h70ftt
title: BindingDB Entry 50030257: Dual EGFR/ErbB-2 inhibitors from novel pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidines.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2hd7vxh
title: BindingDB Entry 50033040: Further SAR study on 11-O-substituted aporphine analogues: identification of highly potent dopamine D3 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P21728, P28223, and P35462
DOI: 10.7270/q2j38ssg
title: BindingDB Entry 50032203: Discovery of novel, orally available benzimidazoles as melanin concentrating hormone receptor 1 (MCHR1) antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2m045g2
title: BindingDB Entry 50030264: Design, synthesis, and evaluation of biphenyl-4-yl-acrylohydroxamic acid derivatives as histone deacetylase (HDAC) inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot Q92769