cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27w6dbg
title: BindingDB Entry 50040925: Discovery and optimization of a series of 2-aminothiazole-oxazoles as potent phosphoinositide 3-kinase¿ inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit gamma, and Phosphatidylinositol 3-kinase p110γ (p110γ), Uniprot P42336, P48736, and Q9JHG7
DOI: 10.7270/q2cf9r75
title: BindingDB Entry 50040390: Elucidation of a structural basis for the inhibitor-driven, p62 (SQSTM1)-dependent intracellular redistribution of cAMP phosphodiesterase-4A4 (PDE4A4).

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4A, Uniprot P27815
DOI: 10.7270/q2cn7526
title: BindingDB Entry 50040924: Sulfanylphthalonitrile analogues as selective and potent inhibitors of monoamine oxidase B.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2g73fs6
title: BindingDB Entry 50040009: Synthesis and biological evaluation of 4'-[(benzimidazole-1-yl)methyl]biphenyl-2-sulfonamide derivatives as dual angiotensin II/endothelin A receptor antagonists.

description: Small molecule binding data for protein Angiotensin II receptor, Angiotensin II type 1a (AT-1a) receptor, and EDNRA, Uniprot P25101, P25104, and P30556
DOI: 10.7270/q2h70gxk
title: BindingDB Entry 50040389: A potent and orally active antagonist (SM-406/AT-406) of multiple inhibitor of apoptosis proteins (IAPs) in clinical development for cancer treatment.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3), and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170, Q13489, and Q13490
DOI: 10.7270/q2hd7wtk
title: BindingDB Entry 50040923: Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors.

description: Small molecule binding data for protein Renin, Uniprot P00797 and Q6DLS0
DOI: 10.7270/q2kw5h39
title: BindingDB Entry 50040008: Development of novel M1 antagonist scaffolds through the continued optimization of the MLPCN probe ML012.

description: Small molecule binding data for protein Cytochrome P450 1A, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P05177, P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2mw2j84
title: BindingDB Entry 50040388: Selenophene-containing inhibitors of type IIA bacterial topoisomerases.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2n58nj9
title: BindingDB Entry 50040922: Synthesis and biological evaluation of a water-soluble derivative of the potent V-ATPase inhibitor archazolid.

description: Small molecule binding data for protein V-type proton ATPase subunit C, Uniprot Q9U5N1
DOI: 10.7270/q2qn67tm
title: BindingDB Entry 50040007: Discovery of benzylisothioureas as potent divalent metal transporter 1 (DMT1) inhibitors.

description: Small molecule binding data for protein Natural resistance-associated macrophage protein 1, Uniprot P49279
DOI: 10.7270/q2vd70hw
title: BindingDB Entry 50040006: Discovery and optimization of novel fatty acid transport protein 1 (FATP1) inhibitors.

description: Small molecule binding data for protein Long-chain fatty acid transport protein 1, Uniprot Q60714 and Q6PCB7
DOI: 10.7270/q22z16kc
title: BindingDB Entry 50040012: Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q26q1z9q
title: BindingDB Entry 50040011: Methylation of imidazoline related compounds leads to loss ofa2-adrenoceptor affinity. Synthesis and biological evaluation of selective I1 imidazoline receptor ligands.

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/q26q1zb5
title: BindingDB Entry 50040399: Synthesis and biological activity of 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl regioisomers as inhibitors of de novo purine biosynthesis with selectivity for cellular uptake by high affinity folate receptors and the proton-coupled folate transporter over the reduced folate carrier.

description: Small molecule binding data for protein Glycinamide ribonucleotide formyltransferase (GARFTase) and Proton-coupled folate transporter, Uniprot P22102 and Q96NT5
DOI: 10.7270/q27p90ht
title: BindingDB Entry 50040391: Polysulfated xanthones: multipathway development of a new generation of dual anticoagulant/antiplatelet agents.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742 and P01008
DOI: 10.7270/q2bg2q2w
title: BindingDB Entry 50040010: ¿-amino-ß-fluorocyclopropanecarboxylic acids as a new tool for drug development: synthesis of glutamic acid analogs and agonist activity towards metabotropic glutamate receptor 4.

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGlu4), Uniprot P31423
DOI: 10.7270/q2bg2q3b
title: BindingDB Entry 50040398: Bivalent Smac mimetics with a diazabicyclic core as highly potent antagonists of XIAP and cIAP1/2 and novel anticancer agents.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3), and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170, Q13489, and Q13490
DOI: 10.7270/q2m046jc
title: BindingDB Entry 50040396: Cyclobutane derivatives as novel nonpeptidic small molecule agonists of glucagon-like peptide-1 receptor.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor, Uniprot P32301
DOI: 10.7270/q2m61mdg
title: BindingDB Entry 50040930: Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation.

description: Small molecule binding data for protein Angiogenin, CAM-RNase A, Eosinophil-derived neurotoxin (EDN), and RNAse A, Uniprot P03950, P07998, P10153, and P61823
DOI: 10.7270/q2qn67wh
title: BindingDB Entry 50040395: ortho-Quinone tanshinones directly inhibit telomerase through an oxidative mechanism mediated by hydrogen peroxide.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2qz2c4w
title: BindingDB Entry 50040929: Inhibition of monoamine oxidase by 8-[(phenylethyl)sulfanyl]caffeine analogues.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2vd70jb
title: BindingDB Entry 50040394: Optimization of a potent class of arylamide colony-stimulating factor-1 receptor inhibitors leading to anti-inflammatory clinical candidate 4-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A, Macrophage colony stimulating factor receptor, Macrophage colony-stimulating factor 1 receptor (c-Fms), Neurotrophic tyrosine kinase receptor, SRC, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Voltage-gated potassium channel, Uniprot P04629, P05177, P06239, P07333, P08684, P09581, P10721, P11712, P30530, P33261, P36888, and Q12809
DOI: 10.7270/q22z16mt
title: BindingDB Entry 50040400: Effect of alkyl chain length on sphingosine kinase 2 selectivity.

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1) and Sphingosine kinase types 2 (SphK2), Uniprot Q9NRA0 and Q9NYA1
DOI: 10.7270/q23779vj
title: BindingDB Entry 50040934: 3-Phenyl substituted 6,7-dimethoxyisoquinoline derivatives as FtsZ-targeting antibacterial agents.

description: Small molecule binding data for protein Cell division protein FtsZ, Uniprot P0A031
DOI: 10.7270/q26w9c80
title: BindingDB Entry 50040933: Synthesis and docking studies of novel antitumor benzimidazoles.

description: Small molecule binding data for protein Urokinase receptor (uPAR) and Urokinase-type plasminogen activator, Uniprot P00749 and Q03405
DOI: 10.7270/q29g5nwn
title: BindingDB Entry 50040018: Crystal structure of phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with amodiaquine.

description: Small molecule binding data for protein Histamine N-methyltransferase and Phosphoethanolamine N-methyltransferase, Uniprot P50135
DOI: 10.7270/q2bp03zd
title: BindingDB Entry 50040932: Bicyclic peptidomimetics targeting secreted aspartic protease 2 (SAP2) from Candida albicans reveal a constrained inhibitory chemotype.

description: Small molecule binding data for protein Candidapepsin-2, Uniprot P0CS83
DOI: 10.7270/q2f76dnt
title: BindingDB Entry 50040017: Design, synthesis, modeling, biological evaluation and photoaffinity labeling studies of novel series of photoreactive benzamide probes for histone deacetylase 2.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot Q13547 and Q92769
DOI: 10.7270/q2g73fv3
title: BindingDB Entry 50040397: Strategies to mitigate the bioactivation of 2-anilino-7-aryl-pyrrolo[2,1-f][1,2,4]triazines: identification of orally bioavailable, efficacious ALK inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor/Nucleophosmin and Insulin receptor, Uniprot P06213, P06748, and Q9UM73
DOI: 10.7270/q2gf0vn9
title: BindingDB Entry 50040931: Design, synthesis, and evaluation of imidazo[1,2-b]pyridazine derivatives having a benzamide unit as novel VEGFR2 kinase inhibitors.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, 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, P06213, P08069, P08581, P09619, P10721, P11362, P15056, P16234, P17948, P22455, P22607, P35968, P49841, and Q02763
DOI: 10.7270/q2pn96p7
title: BindingDB Entry 50040015: Discovery and SAR of orally efficacious tetrahydropyridopyridazinone PARP inhibitors for the treatment of cancer.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2q81f9p
title: BindingDB Entry 50041615: Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2td9zc4
title: BindingDB Entry 50040014: Synthesis and SAR studies of bicyclic amine series GPR119 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119) and Glucose-dependent insulinotropic receptor, Uniprot Q7TQP3 and Q8TDV5
DOI: 10.7270/q2td9zf1
title: BindingDB Entry 50040402: Synthesis and pharmacological evaluation of 2,4-dinitroaryldithiocarbamate derivatives as novel monoacylglycerol lipase inhibitors.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH) and Monoglyceride Lipase (MGL), Uniprot O00519 and Q99685
DOI: 10.7270/q2vq33v6
title: BindingDB Entry 50040928: 7-Phenyl-pyrido[2,3-d]pyrimidine-2,4-diamines: novel and highly selective protein tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2z60q3d
title: BindingDB Entry 50040013: Discovery and optimization of novel purines as potent and selective CB2 agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Cannabinoid receptor 2 (CB2), Cytochrome P450 2D6 (2D6), and Voltage-gated potassium channel, Uniprot P10635, P21554, P34972, Q12809, and Q9QZN9
DOI: 10.7270/q2z60q4v
title: BindingDB Entry 50040401: Synthesis and pharmacological evaluation of carbamic acid 1-phenyl-3-(4-phenyl-piperazine-1-yl)-propyl ester derivatives as new analgesic agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Beta-1 adrenergic receptor, Serotonin (5-HT) receptor, Serotonin receptor (2b and 2c), and Sigma, Uniprot P08588, P14842, P19327, P28223, P41595, and Q99720
DOI: 10.7270/q21z45gf
title: BindingDB Entry 50040020: Synthesis and evaluation of aplysinopsin analogs as inhibitors of human monoamine oxidase A and B.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q21z45hw
title: BindingDB Entry 50040408: Lead optimization of antimalarial propafenone analogues.

description: Small molecule binding data for protein Sulfonylurea receptor 2, Kir6.2, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot Q12809, Q14524, and Q14654
DOI: 10.7270/q25q4x5b
title: BindingDB Entry 50040019: Discovery of MEK/PI3K dual inhibitor via structure-based virtual screening.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 2, and PI3-kinase subunit alpha, Uniprot P36507, P42336, and Q02750
DOI: 10.7270/q25q4x6s
title: BindingDB Entry 50040407: Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P05177, P08684, P10635, P11712, P23458, P29597, P33261, and P52333
DOI: 10.7270/q2668fdb
title: BindingDB Entry 50041634: The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q29g5nx3
title: BindingDB Entry 50040406: N'-substituted-2'-O,3'-N-carbonimidoyl bridged macrolides: novel anti-inflammatory macrolides without antimicrobial activity.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q29z964r
title: BindingDB Entry 50041629: Discovery of quinazolines as histamine H4 receptor inverse agonists using a scaffold hopping approach.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H4 Receptor, and Histamine receptor (H4), Uniprot P35367, Q91ZY1, and Q9H3N8
DOI: 10.7270/q2f76dp8
title: BindingDB Entry 50040405: Identification of a duald OR antagonist/µ OR agonist as a potential therapeutic for diarrhea-predominant Irritable Bowel Syndrome (IBS-d).

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P35372, P41143, and P41144
DOI: 10.7270/q2ff3thx
title: BindingDB Entry 50040939: Development of sub-nanomolar dipeptidic ligands of neuropeptide FF receptors.

description: Small molecule binding data for protein NPFF2 and Neuropeptide FF receptor 1, Uniprot Q9GZQ6 and Q9Y5X5
DOI: 10.7270/q2k075b3
title: BindingDB Entry 50040016: The potential role of anibamine, a natural product CCR5 antagonist, and its analogues as leads toward development of anti-ovarian cancer agents.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2k075d0
title: BindingDB Entry 50040404: Chalcone inhibitors of the NorA efflux pump in Staphylococcus aureus whole cells and enriched everted membrane vesicles.

description: Small molecule binding data for protein Quinolone resistance protein norA, Uniprot P0A0J7
DOI: 10.7270/q2k64k66
title: BindingDB Entry 50040938: Synthesis of novel¿¿3 receptor ligands via an unusual Knoevenagel condensation.

description: Small molecule binding data for protein Ribosyldihydronicotinamide dehydrogenase [quinone], Uniprot P16083
DOI: 10.7270/q2p84d59
title: BindingDB Entry 50041640: QSAR studies on BK channel activators.

description: Small molecule binding data for protein Calcium-activated potassium channel alpha/beta 1, Uniprot Q12791
DOI: 10.7270/q2pr7x3k
title: BindingDB Entry 50040403: Synthesis and biological evaluation of an orally active glycosylated endomorphin-1.

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/q2pz59zn
title: BindingDB Entry 50040937: SAR and in vivo evaluation of 4-aryl-2-aminoalkylpyrimidines as potent and selective Janus kinase 2 (JAK2) inhibitors.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Inhibitor of NF-kappa-B kinase (IKK), JAK2/TYK2, JAK3/JAK1, Mitogen-activated protein kinase kinase kinase 9 (MLK1), Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Ribosomal protein S6 kinase (P70S6K), Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, O14920, O60674, P09619, P10721, P16234, P17948, P23443, P23458, P29597, P35916, P35968, P36888, P52333, and P80192
DOI: 10.7270/q2t154wm
title: BindingDB Entry 50041639: 3D-QSAR and QSSR studies of 3,8-diazabicyclo[4.2.0]octane derivatives as neuronal nicotinic acetylcholine receptors by comparative molecular field analysis (CoMFA).

description: Small molecule binding data for protein Cholinergic, Nicotinic Alpha3Beta2 and Neuronal acetylcholine receptor subunit alpha-4, Uniprot P32297 and P43681
DOI: 10.7270/q2tq62pc
title: BindingDB Entry 50040936: 2-Styrylindolium based fluorescent probes visualize neurofibrillary tangles in Alzheimer's disease.

description: Small molecule binding data for protein Tau, Uniprot P10636
DOI: 10.7270/q2x63p0g
title: BindingDB Entry 50040021: Benzoylbenzimidazole-based selective inhibitors targeting Cryptosporidium parvum and Toxoplasma gondii calcium-dependent protein kinase-1.

description: Small molecule binding data for protein Calmodulin-domain protein kinase 1, Tyrosine-protein kinase ABL1, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519 and P12931
DOI: 10.7270/q2xp7658
title: BindingDB Entry 50041638: Synthesis and evaluation of novel photoreactive alpha-amino acid analog carrying acidic and cleavable functions.

description: Small molecule binding data for protein Glutamyl endopeptidase, Uniprot P0C1U8
DOI: 10.7270/q2zg6tdq
title: BindingDB Entry 50040935: Azabenzthiazole inhibitors of leukotriene A4 hydrolase.

description: Small molecule binding data for protein Leukotriene A4 hydrolase and Voltage-gated potassium channel, Uniprot P09960 and Q12809
DOI: 10.7270/q21g0nhb
title: BindingDB Entry 50041649: Discovery of biphenyl piperazines as novel and long acting muscarinic acetylcholine receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, and Voltage-gated potassium channel, Uniprot P05177, P08172, P08684, P10635, P11229, P11712, P20309, P33261, and Q12809
DOI: 10.7270/q22808sm
title: BindingDB Entry 50040942: Design and synthesis of procollagen C-proteinase inhibitors.

description: Small molecule binding data for protein Bone morphogenetic protein 1, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P08253, P13497, and P14780
DOI: 10.7270/q2571d72
title: BindingDB Entry 50041648: Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P28223, and P28335
DOI: 10.7270/q26111gw
title: BindingDB Entry 50040941: Discovery of a novel non-steroidal GR antagonist with in vivo efficacy in the olanzapine-induced weight gain model in the rat.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q28g8msq
title: BindingDB Entry 50040414: An efficient synthesis of 3-OBn-6ß,14-epoxy-bridged opiates from naltrexone and identification of a related dual MOR inverse agonist/KOR agonist.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q290251p
title: BindingDB Entry 50041647: Discovery of potent and selective small-molecule PAR-2 agonists.

description: Small molecule binding data for protein Proteinase-activated receptor 2, Uniprot P55085
DOI: 10.7270/q29p32t1
title: BindingDB Entry 50040940: Synthesis of novel triplet drugs with 1,3,5-trioxazatriquinane skeletons and their pharmacologies. 3: synthesis of novel triplet drugs with the bis(epoxymethano) or bis(dimethylepoxymethano) structure (double-capped triplet).

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P35372, P41144, P41145, and P42866
DOI: 10.7270/q2d79cg0
title: BindingDB Entry 50040025: Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.

description: Small molecule binding data for protein DNA Gyrase Subunit B, Uniprot P0A0K8
DOI: 10.7270/q2dr2wr9
title: BindingDB Entry 50041646: Synthesis and biological activity of human neuropeptide S analogues modified in position 5: identification of potent and pure neuropeptide S receptor antagonists.

description: Small molecule binding data for protein Neuropeptide S receptor, Uniprot Q8BZP8
DOI: 10.7270/q2j1047q
title: BindingDB Entry 50040024: Selective non-lipid modulator of LPA5 activity in human platelets.

description: Small molecule binding data for protein Lysophosphatidic acid receptor 5 (LPA5) and Lysophosphatidic acid receptor Edg-4, Uniprot Q9H1C0 and Q9HBW0
DOI: 10.7270/q2jh3nfk
title: BindingDB Entry 50041641: Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT), Uniprot P23141
DOI: 10.7270/q2ns0vzb
title: BindingDB Entry 50040023: The SAR analysis of TRPV1 agonists with thea-methylated B-region.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433