cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22808qq
title: BindingDB Entry 50040555: The many faces of the adamantyl group in drug design.

description: Small molecule binding data for protein Beta-glucosidase, Carbonic anhydrase 2, Delta-type opioid receptor, ETS-related transcription factor Elf-3/Vitamin D3 receptor-interacting protein (ESX/MED23), Epoxide hydratase, Epoxide hydrolase 2, Mu-type opioid receptor, Soluble epoxide hydrolase (sEH), and Vitamin D receptor, Uniprot P00918, P11473, P34913, P34914, P35372, P41143, P80299, Q9HCG7, and Q9ULK4
DOI: 10.7270/q23n24n1
title: BindingDB Entry 50041811: Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating metabolic inactivation: an antedrug approach.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q25x2b28
title: BindingDB Entry 50040554: SIRT1 modulation as a novel approach to the treatment of diseases of aging.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent protein deacetylase sirtuin-3 (SIRT3), Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q26t0nz5
title: BindingDB Entry 50042328: Hybrid fluorescent conjugates of COX-2 inhibitors: search for a COX-2 isozyme imaging cancer biomarker.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q27d2wcc
title: BindingDB Entry 50041810: Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes: Hologram QSAR for OBA and BBB analogues.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2833t3j
title: BindingDB Entry 50040119: Synthesis of benzo-annulated tryptanthrins and their biological properties.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Cyclooxygenase, Uniprot P09917 and P35354
DOI: 10.7270/q2862hnn
title: BindingDB Entry 50041073: 5-Alkyl-2-[(aryl and alkyloxylcarbonylmethyl)thio]-6-(1-naphthylmethyl) pyrimidin-4(3H)-ones as an unique HIV reverse transcriptase inhibitors of S-DABO series.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2bk1dnf
title: BindingDB Entry 50042327: Macrolactonolides: a novel class of anti-inflammatory compounds.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2cr5vfp
title: BindingDB Entry 50040118: SAR studies around a series of triazolopyridines as potent and selective PI3K¿ inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2cz38bm
title: BindingDB Entry 50041072: A TOPS-MODE approach to predict adenosine kinase inhibition.

description: Small molecule binding data for protein Adenosine kinase, Uniprot P55263
DOI: 10.7270/q2ff3tf1
title: BindingDB Entry 50040552: Brain Penetrant LRRK2 Inhibitor.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), MAP kinase signal-integrating kinase 2, and Mitogen-activated protein kinase kinase kinase 9 (MLK1), Uniprot P80192, Q5S007, and Q9HBH9
DOI: 10.7270/q2gb25bq
title: BindingDB Entry 50042326: Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors.

description: Small molecule binding data for protein Thymidylate kinase, Uniprot P9WKE1
DOI: 10.7270/q2gx4ct3
title: BindingDB Entry 50041808: Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2hm59nm
title: BindingDB Entry 50041071: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q2mp54jt
title: BindingDB Entry 50041807: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor.

description: Small molecule binding data for protein Neurokinin 2 receptor, Uniprot P21452
DOI: 10.7270/q2qv3nth
title: BindingDB Entry 50042324: Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot P06276, P22303, P23795, and P81908
DOI: 10.7270/q2s46t44
title: BindingDB Entry 50041069: Biphenyls as potent vitronectin receptor antagonists. Part 2: biphenylalanine ureas.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2v69kv3
title: BindingDB Entry 50041813: The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6) and Voltage-gated potassium channel, Uniprot P50406 and Q12809
DOI: 10.7270/q2vm4dkp
title: BindingDB Entry 50042323: Synthesis and biological evaluation of¹8F labeled fluoro-oligo-ethoxylated 4-benzylpiperazine derivatives for sigma-1 receptor imaging.

description: Small molecule binding data for protein Emopamil-binding protein-like, OPIATE Sigma, and Vesicular acetylcholine transporter, Uniprot Q16572, Q9BY08, and Q9R0C9
DOI: 10.7270/q2ww7jv4
title: BindingDB Entry 50041068: Syntheses and biological properties of cysteine-reactive epibatidine derivatives.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2xg9s8b
title: BindingDB Entry 50040556: Discovery and biological evaluation of a novel class of dual microsomal prostaglandin E2 synthase-1/5-lipoxygenase inhibitors based on 2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Prostaglandin E synthase, Uniprot O14684 and P09917
DOI: 10.7270/q20p117f
title: BindingDB Entry 50041075: 3-(4-Aminobutyn-1-yl)pyridines: binding at alpha 4 beta 2 nicotinic cholinergic receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q21837n7
title: BindingDB Entry 50040563: Tacrine-ferulic acid-nitric oxide (NO) donor trihybrids as potent, multifunctional acetyl- and butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2348mpc
title: BindingDB Entry 50042329: The effect of 17-N substituents on the activity of the opioid¿ receptor in nalfurafine derivatives.

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, P41144, P41145, and P42866
DOI: 10.7270/q24b32dn
title: BindingDB Entry 50040120: Syntheses and in vitro evaluation of decalinvesamicol analogues as potential imaging probes for vesicular acetylcholine transporter (VAChT).

description: Small molecule binding data for protein OPIATE Sigma and Vesicular acetylcholine transporter, Uniprot Q62666 and Q9R0C9
DOI: 10.7270/q24f1rzc
title: BindingDB Entry 50041074: Synthesis and CB1 receptor activities of novel arachidonyl alcohol derivatives.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272
DOI: 10.7270/q25140bh
title: BindingDB Entry 50040562: Structural modifications that alter the P-glycoprotein efflux properties of compounds.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q26d5v70
title: BindingDB Entry 50041818: Synthesis and biological activity of glycosyl-1H-1,2,3-triazoles.

description: Small molecule binding data for protein Beta-galactosidase, Uniprot Q8VNN2
DOI: 10.7270/q28s4r13
title: BindingDB Entry 50040561: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH)
DOI: 10.7270/q2b56kz9
title: BindingDB Entry 50041817: Identification of a sulfonamide series of CCR2 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 1, C-C chemokine receptor type 2, C-C chemokine receptor type 4 (CCR4), C-C chemokine receptor type 5, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot O95950, P05177, P08684, P10635, P11712, P32246, P33261, P41597, P51679, P51681, P51683, and Q12809
DOI: 10.7270/q2df6sb3
title: BindingDB Entry 50040560: A new strategy for detection and development of tractable telomerase inhibitors.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2fb547s
title: BindingDB Entry 50042334: Identification of a novel benzimidazole derivative as a highly potent NPY Y5 receptor antagonist with an anti-obesity profile.

description: Small molecule binding data for protein Neuropeptide Y receptor type 5 (NPY Y5), Uniprot O70342
DOI: 10.7270/q2fx7bpq
title: BindingDB Entry 50041816: Hit-to-lead optimization of disubstituted oxadiazoles and tetrazoles as mGluR5 NAMs.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q2gh9k11
title: BindingDB Entry 50040125: New cytosine derivatives as inhibitors of DNA methylation.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1 (DNMT1) and M.SssI methyltransferase, Uniprot P15840 and P26358
DOI: 10.7270/q2j67j1c
title: BindingDB Entry 50040559: Optimization of hydroxybenzothiazoles as novel potent and selective inhibitors of 17ß-HSD1.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1), and Estradiol 17-beta-dehydrogenase 2, Uniprot P05177, P08684, P10635, P11712, P14061, P20813, P33261, and P37059
DOI: 10.7270/q2kp83df
title: BindingDB Entry 50041815: 2' biaryl amides as novel and subtype selective M1 agonists. Part I: Identification, synthesis, and initial SAR.

description: Small molecule binding data for protein 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 P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2nz88rc
title: BindingDB Entry 50040558: Discovery and development of spleen tyrosine kinase (SYK) inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Fibroblast growth factor receptor 4, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Mitogen-activated protein kinase 9, SRC, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, and c-Jun N-terminal kinase, JNK, Uniprot O60674, P00533, P06239, P07948, P07949, P22455, P43405, P45983, P45984, and Q64725
DOI: 10.7270/q2pv6mp4
title: BindingDB Entry 50042332: Identification of novel chromenone derivatives as interleukin-5 inhibitors.

description: Small molecule binding data for protein Interleukin-5, Uniprot P04401
DOI: 10.7270/q2qf8v4s
title: BindingDB Entry 50041814: 2' biaryl amides as novel and subtype selective M1 agonists. Part II: Further optimization and profiling.

description: Small molecule binding data for protein 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 P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2r212f5
title: BindingDB Entry 50040123: Selected chromone derivatives as inhibitors of monoamine oxidase.

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/q2r49rzw
title: BindingDB Entry 50041077: Non-peptide alpha v beta 3 antagonists. Part 7: 3-Substituted tetrahydro-naphthyridine derivatives.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2sq91hj
title: BindingDB Entry 50040557: Chemical modulators working at pharmacological interface of target proteins.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2 and NGF, Uniprot P01138 and Q00987
DOI: 10.7270/q2tm7cf9
title: BindingDB Entry 50042331: Further exploration of M1 allosteric agonists: subtle structural changes abolish M1 allosteric agonism and result in pan-mAChR orthosteric antagonism.

description: Small molecule binding data for protein CHRM5, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M4, and Muscarinic receptor M2 and M3, Uniprot P08172, P08173, P08482, P08483, P08485, P08911, P08912, P10980, P11229, and P20309
DOI: 10.7270/q2vt1t56
title: BindingDB Entry 50040122: Chemoenzymatic synthesis and evaluation of 3-azabicyclo[3.2.0]heptane derivatives as dopaminergic ligands.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, and P35462
DOI: 10.7270/q2vx0hq9
title: BindingDB Entry 50041076: N-[1-Aryl-2-(1-imidazolo)ethyl]-guanidine derivatives as potent inhibitors of the bovine mitochondrial F1F0 ATP hydrolase.

description: Small molecule binding data for protein Mitochondrial complex V; ATP synthase, Uniprot P00829, P05630, P05631, and P05632
DOI: 10.7270/q2zc846g
title: BindingDB Entry 50042330: Restoring catalytic activity to the human carbonic anhydrase (CA) related proteins VIII, X and XI affords isoforms with high catalytic efficiency and susceptibility to anion inhibition.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2251kh3
title: BindingDB Entry 50042337: 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3.

description: Small molecule binding data for protein Glycogen synthase kinase-3 and Putative glycogen synthase kinase, Uniprot P49840, P49841, and P51136
DOI: 10.7270/q22r3sw4
title: BindingDB Entry 50041819: Cell cycle arrest and cytochrome c-mediated apoptotic induction by MCS-5A is associated with up-regulation of p16(INK4a) in HL-60 cells.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P06493 and P14635
DOI: 10.7270/q23b617t
title: BindingDB Entry 50040128: The discovery of new potent non-peptide Angiotensin II AT1 receptor blockers: a concise synthesis, molecular docking studies and biological evaluation of N-substituted 5-butylimidazole derivatives.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P30556
DOI: 10.7270/q25x2b7h
title: BindingDB Entry 50042336: 3-Thiomorpholin-8-oxo-8H-acenaphtho [1,2-b] pyrrole-9-carbonitrile (S1) derivatives as pan-Bcl-2-inhibitors of Bcl-2, Bcl-xL and Mcl-1.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2736s12
title: BindingDB Entry 50040127: Design, synthesis, and structure-activity relationships of a series of 2-Ar-8-methyl-5-alkylaminoquinolines as novel CRF1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q29k4cjh
title: BindingDB Entry 50042335: Design, synthesis and bioevalution of novel benzamides derivatives as HDAC inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2bv7hqm
title: BindingDB Entry 50040126: Structure-based design, synthesis, and biological evaluation of dihydroquinazoline-derived potentß-secretase inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2cj8fkk
title: BindingDB Entry 50040568: Small molecule inhibitors of signal transducer and activator of transcription 3 (Stat3) protein.

description: Small molecule binding data for protein Signal transducer and activator of transcription 1, Signal transducer and activator of transcription 3, Transcription Factor STAT1, and Transcription Factor STAT3, Uniprot P40763, P42224, P42225, and P42227
DOI: 10.7270/q2dz09hf
title: BindingDB Entry 50041824: Structure-activity relationships and in vivo activity of (1H-pyrazol-4-yl)acetamide antagonists of the P2X(7) receptor.

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q2h70gz1
title: BindingDB Entry 50040567: Discovery, structure-activity relationship, and biological evaluation of noninhibitory small molecule chaperones of glucocerebrosidase.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase), Uniprot P04062
DOI: 10.7270/q2jq1275
title: BindingDB Entry 50041823: Validated QSAR analysis of some diaryl substituted pyrazoles as CCR2 inhibitors by various linear and nonlinear multivariate chemometrics methods.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950 and P41597
DOI: 10.7270/q2k35vzq
title: BindingDB Entry 50042333: Tetrahydro-ß-carboline derivatives targeting fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channels.

description: Small molecule binding data for protein Anandamide amidohydrolase, Transient receptor potential cation channel subfamily A member 1, and Transient receptor potential cation channel subfamily V member 1, Uniprot P97612, Q6RI86, and Q8NER1
DOI: 10.7270/q2m909qf
title: BindingDB Entry 50040124: 4-Substituted boro-proline dipeptides: synthesis, characterization, and dipeptidyl peptidase IV, 8, and 9 activities.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2mc917z
title: BindingDB Entry 50041078: alpha4beta2 nACh receptor pharmacophore models.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q2n017n9
title: BindingDB Entry 50040566: Kallikrein protease activated receptor (PAR) axis: an attractive target for drug development.

description: Small molecule binding data for protein Kallikrein 2, Kallikrein-1 (KLK1), and Prostate specific antigen, Uniprot P06870, P07288, and P20151
DOI: 10.7270/q2pg1sz3
title: BindingDB Entry 50041822: Optimization of isochromanone based urotensin II receptor agonists.

description: Small molecule binding data for protein Urotensin-2, Uniprot O95399
DOI: 10.7270/q2rr20cq
title: BindingDB Entry 50040565: Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) and Tyrosine-protein kinase JAK2, Uniprot O60674 and Q5S007
DOI: 10.7270/q2t72jpt
title: BindingDB Entry 50041821: Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A2b, Uniprot P29274, P29275, and P30542
DOI: 10.7270/q2wh2r4h
title: BindingDB Entry 50040564: Mitigating heterocycle metabolism in drug discovery.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, G-protein coupled receptor 119 (GPR119), and Metabotropic glutamate receptor 5, Uniprot P08908, P41594, and Q8TDV5
DOI: 10.7270/q2z039dj
title: BindingDB Entry 50041820: ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters.

description: Small molecule binding data for protein Cytochrome P450 2C9, Uniprot P11712
DOI: 10.7270/q2zk5hr4
title: BindingDB Entry 50040129: Synthesis, cytotoxicity of new 4-arylidene curcumin analogues and their multi-functions in inhibition of both NF-¿B and Akt signalling.

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q20866fz
title: BindingDB Entry 50040571: Discovery of pyrazole carboxylic acids as potent inhibitors of rat long chain L-2-hydroxy acid oxidase.

description: Small molecule binding data for protein Hydroxyacid oxidase 2, Uniprot Q07523 and Q9NYQ3
DOI: 10.7270/q21r6rs6
title: BindingDB Entry 50041827: Design, synthesis, and structure-activity relationship study of conformationally constrained analogs of indole-3-carboxamides as novel CB1 cannabinoid receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2416z6r
title: BindingDB Entry 50040570: Syntheses and biological activities of sulfoximine-based acyclic triaryl olefins.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Estradiol receptor alpha (ERα), and Estradiol receptor beta (ERβ), Uniprot P03372, P23219, P35354, and Q92731
DOI: 10.7270/q25h7hhx
title: BindingDB Entry 50041826: Peptide deformylase inhibitors with retro-amide scaffold: synthesis and structure-activity relationships.

description: Small molecule binding data for protein Peptide deformylase, Uniprot Q9I7A8
DOI: 10.7270/q27s7pw9
title: BindingDB Entry 50040569: Rediocide A, an Insecticide, induces G-protein-coupled receptor desensitization via activation of conventional protein kinase C.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, C-C chemokine receptor type 6 (CCR6), and Glucagon receptor, Uniprot P35348, P35368, P47871, and P51684
DOI: 10.7270/q28p61tf
title: BindingDB Entry 50042343: Synthesis and evaluation of novel ligands for the histamine H4 receptor based on a pyrrolo[2,3-d]pyrimidine scaffold.

description: Small molecule binding data for protein Histamine receptor (H3) and Histamine receptor (H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q2959jsg
title: BindingDB Entry 50041825: Identification of novel alpha7 nAChR positive allosteric modulators with the use of pharmacophore in silico screening methods.

description: Small molecule binding data for protein Cholinergic, Nicotinic Alpha3Beta2, Neuronal acetylcholine receptor protein alpha-7 subunit, Neuronal acetylcholine receptor subunit alpha-4, Serotonin 3 (5-HT3) receptor, and alpha-1 Nicotinic AChR, Uniprot P02708, P32297, P36544, P43681, and P46098