cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2nz8794
title: BindingDB Entry 50018907: Profile and molecular modeling of 3-(indole-3-yl)-4-(3,4,5-trimethoxyphenyl)-1 H-pyrrole-2,5-dione (1) as a highly selective VEGF-R2/3 inhibitor.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, CDK2/Cyclin A/Cyclin A1, Cyclin-Dependent Kinase 4 (CDK4), Ephrin type-B receptor 4 (EphB4), Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Insulin receptor, Insulin-like growth factor I receptor, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ABL1, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O14965, P00519, P00533, P04626, P06213, P08069, P09619, P11802, P12931, P20248, P24385, P24941, P31749, P35916, P35968, P49841, P51955, P53350, P54760, P78396, Q02763, Q05397, Q541P7, and Q96GD4
DOI: 10.7270/q2p84bm9
title: BindingDB Entry 50021672: Design, synthesis, in vitro, and in vivo characterization of phenylpiperazines and pyridinylpiperazines as potent and selective antagonists of the melanocortin-4 receptor.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Ghrelin receptor, Melanocortin receptor 3, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P05177, P08684, P10635, P11712, P32245, P33032, P33033, P33261, P41968, P56450, Q01726, and Q92847
DOI: 10.7270/q2pz58hd
title: BindingDB Entry 50018891: Identification of the brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane as an androgen agonist.

description: Small molecule binding data for protein Androgen Receptor and Androgen receptor, Uniprot P10275 and P15207
DOI: 10.7270/q2sq9029
title: BindingDB Entry 50018905: Design and evaluation of hydroxamate derivatives as metal-mediated inhibitors of a protein tyrosine kinase.

description: Small molecule binding data for protein Tyrosine-protein kinase CSK and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931 and P41240
DOI: 10.7270/q2t153cg
title: BindingDB Entry 50021667: Discovery of potent& selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis.

description: Small molecule binding data for protein Carboxypeptidase A1, Carboxypeptidase B, Carboxypeptidase N, catalytic subunit, and Thrombin-activable fibrinolysis inhibitor (TAFIa), Uniprot P00730, P09955, P15169, and Q96IY4
DOI: 10.7270/q2tm79xr
title: BindingDB Entry 50026705: Synthesis and preliminary pharmacological evaluation of novel derivatives of L-beta-threo-benzylaspartate as inhibitors of the neuronal glutamate transporter EAAT3.

description: Small molecule binding data for protein Excitatory amino acid transporter 3, Uniprot P43005
DOI: 10.7270/q2tq616p
title: BindingDB Entry 50018889: Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q2tt4qh8
title: BindingDB Entry 50016956: p38 MAP kinase inhibitors: metabolically stabilized piperidine-substituted quinolinones and naphthyridinones.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2vt1rp3
title: BindingDB Entry 50016939: Improving the antiviral efficacy and selectivity of HIV-1 reverse transcriptase inhibitor TSAO-T by the introduction of functional groups at the N-3 position.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2xg9qs7
title: BindingDB Entry 50018903: Low-calcemic, highly antiproliferative, 1-difluoromethyl hybrid analogs of the natural hormone 1alpha,25-dihydroxyvitamin D3: design, synthesis, and preliminary biological evaluation.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2xs5v4z
title: BindingDB Entry 50021659: Discovery of amide and heteroaryl isosteres as carbamate replacements in a series of orally active gamma-secretase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2zk5g70
title: BindingDB Entry 50016953: 4-Phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives, a novel class of selective delta-opioid agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q218365j
title: BindingDB Entry 50018923: Synthesis, radiosynthesis, and biological evaluation of carbon-11 labeled 2beta-carbomethoxy-3beta-(3'-((Z)-2-haloethenyl)phenyl)nortropanes: candidate radioligands for in vivo imaging of the serotonin transporter with positron emission tomography.

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/q2251j0z
title: BindingDB Entry 50026716: Structure-based virtual screening for identification of novel 11beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q22b8xmz
title: BindingDB Entry 50016968: Pentacyclic triterpenes. Part 2: Synthesis and biological evaluation of maslinic acid derivatives as glycogen phosphorylase inhibitors.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q2513xv1
title: BindingDB Entry 50018921: 5-pyrrolidinylsulfonyl isatins as a potential tool for the molecular imaging of caspases in apoptosis.

description: Small molecule binding data for protein Caspase-1, Caspase-3, Caspase-6, Caspase-7, and Caspase-8, Uniprot P29466, P42574, P55210, P55212, and Q14790
DOI: 10.7270/q25b027k
title: BindingDB Entry 50021706: 3,4-Diamino-2,5-thiadiazole-1-oxides as potent CXCR2/CXCR1 antagonists.

description: Small molecule binding data for protein Chemokine receptor type 1 (CXCR1) and Interleukin-8 receptors, CXCR2, Uniprot P25024 and P25025
DOI: 10.7270/q25x28rd
title: BindingDB Entry 50026714: Blockade of glucocorticoid excess at the tissue level: inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 as a therapy for type 2 diabetes.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q2639p97
title: BindingDB Entry 50016966: Peptide inhibitors of Dengue virus NS3 protease. Part 1: Warhead.

description: Small molecule binding data for protein Dengue virus type 2 NS3 protein, Uniprot P29990
DOI: 10.7270/q2833rsp
title: BindingDB Entry 50021747: Synthesis, biological evaluation and molecular modelling studies of novel ACD- and ABD-ring steroidomimetics as inhibitors of CYP17.

description: Small molecule binding data for protein Cytochrome P450 17A1, Uniprot P05093
DOI: 10.7270/q28p605h
title: BindingDB Entry 50018917: Multitarget-directed drug design strategy: a novel molecule designed to block epidermal growth factor receptor (EGFR) and to exert proapoptotic effects.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2930sx2
title: BindingDB Entry 50021697: Total synthesis and absolute configuration of laurenditerpenol: a hypoxia inducible factor-1 activation inhibitor.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q29p31g4
title: BindingDB Entry 50026710: Discovery of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (EP128265, MPI-0441138) as a potent inducer of apoptosis with high in vivo activity.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, Uniprot P07333
DOI: 10.7270/q29s1qk1
title: BindingDB Entry 50016965: Novel histamine H3 receptor antagonists based on the 4-[(1H-imidazol-4-yl)methyl]piperidine scaffold.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), HRH3, Histamine H1 receptor, and Histamine receptor (H3), Uniprot P10635, P31389, Q9JI35, and Q9Y5N1
DOI: 10.7270/q2cv4hh3
title: BindingDB Entry 50021740: Design and synthesis of 4-quinolinone 2-carboxamides as calpain inhibitors.

description: Small molecule binding data for protein Calpain1/2, Uniprot P07384
DOI: 10.7270/q2df6qv0
title: BindingDB Entry 50018916: Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258, Q9Y5Y4, and Q9Z2J6
DOI: 10.7270/q2ff3s6g
title: BindingDB Entry 50026709: Synthesis of GABAA receptor agonists and evaluation of their alpha-subunit selectivity and orientation in the GABA binding site.

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 alpha-6/beta-2/gamma-2, GABA(A) receptor subunit alpha-2, Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4, and Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1), Uniprot P19969, P20236, P23576, P28471, P30191, and P62813
DOI: 10.7270/q2fj2g9r
title: BindingDB Entry 50016964: N-(4-{[4-(1H-Benzoimidazol-2-yl)-arylamino]-methyl}-phenyl)-benzamide derivatives as small molecule heparanase inhibitors.

description: Small molecule binding data for protein Heparanase, Uniprot Q9Y251
DOI: 10.7270/q2hm586c
title: BindingDB Entry 50021722: Trisubstituted 1,2,4-triazoles as ligands for the ghrelin receptor: on the significance of the orientation and substitution at position 3.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2j67gkq
title: BindingDB Entry 50018915: Lead discovery and optimization of T-type calcium channel blockers.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q2k64hxs
title: BindingDB Entry 50026707: Synthesis and evaluation in vitro and in vivo of a 11C-labeled cyclooxygenase-2 (COX-2) inhibitor.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2n0165m
title: BindingDB Entry 50018937: Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Serine/threonine-protein kinase Aurora, Uniprot O14965 and P00533
DOI: 10.7270/q2n879jt
title: BindingDB Entry 50021720: Carboxylic acid based quinolines as liver X receptor modulators that have LXRbeta receptor binding selectivity.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta) and Peroxisome proliferator-activated receptor, Uniprot P37231, P55055, and Q13133
DOI: 10.7270/q2nz87gc
title: BindingDB Entry 50026732: Facile radiosynthesis of fluorine-18 labeled beta-blockers. Synthesis, radiolabeling, and ex vivo biodistribution of [18F]-(2S and 2R)-1-(1-fluoropropan-2-ylamino)-3-(m-tolyloxy)propan-2-ol.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot P07550 and P08588
DOI: 10.7270/q2p26xpx
title: BindingDB Entry 50016973: Discovery of N-(2-hydroxy-2-aryl-cyclohexyl) substituted spiropiperidines as GlyT1 antagonists with improved pharmacological profile.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41146, P48067, and Q9Y345
DOI: 10.7270/q2pz58n6
title: BindingDB Entry 50026706: Solid-phase synthesis and biological evaluation of a parallel library of 2,3-dihydro-1,5-benzothiazepines.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2q23zsv
title: BindingDB Entry 50016960: Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative.

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2s18273
title: BindingDB Entry 50021716: From astemizole to a novel hit series of small-molecule somatostatin 5 receptor antagonists via GPCR affinity profiling.

description: Small molecule binding data for protein Histamine H1 receptor, Somatostatin receptor, and Voltage-gated potassium channel, Uniprot P30872, P30874, P32745, P35346, P35367, and Q12809
DOI: 10.7270/q2sq9063
title: BindingDB Entry 50026723: A synthetic method for peptide-PEG-lipid conjugates: application of octreotide-PEG-DSPE synthesis.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30874
DOI: 10.7270/q2wh2pnd
title: BindingDB Entry 50018924: In silico-guided target identification of a scaffold-focused library: 1,3,5-triazepan-2,6-diones as novel phospholipase A2 inhibitors.

description: Small molecule binding data for protein Group X secretory phospholipase A2, Purine nucleoside phosphorylase, and Secretory phospholipase A2, group V (sPLA2-V), Uniprot O15496 and P39877
DOI: 10.7270/q2ws8t0k
title: BindingDB Entry 50021715: Discovery of the first nonpeptidic, small-molecule, highly selective somatostatin receptor subtype 5 antagonists: a chemogenomics approach.

description: Small molecule binding data for protein Histamine H1 receptor, Somatostatin receptor, and Voltage-gated potassium channel, Uniprot P30872, P30874, P31391, P32745, P35346, P35367, and Q12809
DOI: 10.7270/q2xd11hn
title: BindingDB Entry 50026718: 4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors.

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/q2xk8f42
title: BindingDB Entry 50016970: Discovery of N-(2-aryl-cyclohexyl) substituted spiropiperidines as a novel class of GlyT1 inhibitors.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41146, P48067, and Q9Y345
DOI: 10.7270/q2zc82ng
title: BindingDB Entry 50026704: Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Endopeptidase prolyl oligopeptidase (PREP), Uniprot P27487 and P48147
DOI: 10.7270/q208650q
title: BindingDB Entry 50018987: Inhibitory effects of phloridzin dihydrate on the activity of mushroom (Agaricus bisporus) tyrosinase.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q20k289k
title: BindingDB Entry 50021767: A novel series of highly selective inhibitors of MMP-3.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P45452, and P50281
DOI: 10.7270/q2154gv5
title: BindingDB Entry 50026752: Discovery of piperidine carboxamide TRPV1 antagonists.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Transient receptor potential cation channel subfamily V member 1, Uniprot P08684, P10635, and Q8NER1
DOI: 10.7270/q21c1wfp
title: BindingDB Entry 50016982: Synthesis, structure-activity relationships, and biological properties of 1-heteroaryl-4-[omega-(1H-indol-3-yl)alkyl]piperazines, novel potential antipsychotics combining potent dopamine D2 receptor antagonism with potent serotonin reuptake inhibition.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Sodium-dependent serotonin transporter, Uniprot P14416 and P31652
DOI: 10.7270/q23b5zvp
title: BindingDB Entry 50021806: (S)-N-{3-[1-cyclopropyl-1-(2,4-difluoro-phenyl)-ethyl]-1H-indol-7-yl}-methanesulfonamide: a potent, nonsteroidal, functional antagonist of the mineralocorticoid receptor.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, and P10275
DOI: 10.7270/q2416wr3
title: BindingDB Entry 50018981: 4-[6-(2-Aminoethyl)naphthalen-2-yl]benzonitriles are potent histamine H3 receptor antagonists with high CNS penetration.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q24b312r
title: BindingDB Entry 50021751: Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P10938 and P11086
DOI: 10.7270/q24x57kk
title: BindingDB Entry 50026750: Improvement of the transactivation activity of phenylpropanoic acid-type peroxisome proliferator-activated receptor pan agonists: effect of introduction of fluorine at the linker part.

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/q2542n5d
title: BindingDB Entry 50016981: Molecular modeling and molecular dynamics simulation of the human A2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A2b, Uniprot P29275
DOI: 10.7270/q2736qn9
title: BindingDB Entry 50021805: Cannabilactones: a novel class of CB2 selective agonists with peripheral analgesic activity.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272 and P47936
DOI: 10.7270/q27s7nf2
title: BindingDB Entry 50018977: Synthesis and evaluation of N-3 substituted phenoxypropyl piperidine benzimidazol-2-one analogues as NOP receptor agonists with analgesic and sedative properties.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin receptor, and mu/kappa opioid receptor, Uniprot P35372, P41143, P41144, and P41146
DOI: 10.7270/q28p6099
title: BindingDB Entry 50026746: Aminoquinazolines as TRPV1 antagonists: modulation of drug-like properties through the exploration of 2-position substitution.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q28w3cvz
title: BindingDB Entry 50016977: Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.

description: Small molecule binding data for protein Papain-like protease (PLpro), Uniprot A7J8L3 and P0C6U8
DOI: 10.7270/q2bv7gcq
title: BindingDB Entry 50021798: Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and T-cell protein-tyrosine phosphatase, Uniprot P17706 and P18031
DOI: 10.7270/q2cf9pr2
title: BindingDB Entry 50018944: Indanylacetic acid derivatives carrying aryl-pyridyl and aryl-pyrimidinyl tail groups--new classes of PPAR gamma/delta and PPAR alpha/gamma/delta agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor delta (PPAR delta), and Peroxisome proliferator-activated receptor gamma, Uniprot P23204, P35396, P37238, Q03181, and Q07869
DOI: 10.7270/q2cn73f9
title: BindingDB Entry 50016992: Synthesis of 5-nitro-2-furancarbohydrazides and their cis-diamminedichloroplatinum complexes as bitopic and irreversible human thioredoxin reductase inhibitors.

description: Small molecule binding data for protein Glutathione reductase (GR), Uniprot P00390
DOI: 10.7270/q2df6r1n
title: BindingDB Entry 50026744: Novel ligands rationally designed for characterizing I2-imidazoline binding sites nature and functions.

description: Small molecule binding data for protein Imidazoline I1, Uniprot Q4G017
DOI: 10.7270/q2dj5f6t
title: BindingDB Entry 50016976: Pyrazoloheteroaryls: novel p38alpha MAP kinase inhibiting scaffolds with oral activity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Hepatocyte growth factor receptor, MAP kinase p38, and Mitogen-activated protein kinase 9, Uniprot P00533, P04626, P08581, P45984, and P47811
DOI: 10.7270/q2gm8720
title: BindingDB Entry 50021795: Design and identification of selective HER-2 sheddase inhibitors via P1' manipulation and unconventional P2' perturbations to induce a molecular metamorphosis.

description: Small molecule binding data for protein Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot O14672, P03956, P08253, P08254, and P14780
DOI: 10.7270/q2h70ffw
title: BindingDB Entry 50018938: Human ACAT inhibitory effects of shikonin derivatives from Lithospermum erythrorhizon.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q2h70fm4
title: BindingDB Entry 50026758: Sulindac derivatives that activate the peroxisome proliferator-activated receptor gamma but lack cyclooxygenase inhibition.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2j67grz
title: BindingDB Entry 50026742: Synthesis and pharmacological evaluation of pentacyclic 6a,7-dihydrodiindole and 2,3-dihydrodiindole derivatives as novel melatoninergic ligands.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2j965x4
title: BindingDB Entry 50016974: Peptide inhibitors of dengue virus NS3 protease. Part 2: SAR study of tetrapeptide aldehyde inhibitors.

description: Small molecule binding data for protein Dengue virus type 2 NS3 protein, Uniprot P29990
DOI: 10.7270/q2mc8zrg
title: BindingDB Entry 50021780: Development of CXCR3 antagonists. Part 3: Tropenyl and homotropenyl-piperidine urea derivatives.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, C-X-C chemokine receptor type 3, Cytochrome P450 2D6 (2D6), Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Serotonin (5-HT) receptor, and chemokine (C-X-C motif) receptor 3, Uniprot O88410, P08172, P08908, P10635, P11229, P20309, P47898, and P49682