cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27d2w2b
title: BindingDB Entry 50038631: In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures.

description: Small molecule binding data for protein Acidic alpha-glucosidase, Glucocerebrosidase (Acid beta-Glucosidase), Glycogen Phosphorylase (PYGL), Glycogen debranching enzyme, Lysosomal alpha-glucosidase, and alpha-Glucosidase (α-Glucosidase), Uniprot P04062, P06737, P10253, P23739, P35573, P35574, and Q6P7A9
DOI: 10.7270/q2862h5c
title: BindingDB Entry 50036835: Nonpeptide analogues of dynorphin A(1-8): design, synthesis, and pharmacological evaluation of kappa-selective agonists.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q290249v
title: BindingDB Entry 50035080: RGD mimetics containing a central hydantoin scaffold: alpkha(v)beta3 vs alpha(IIb)beta3 selectivity requirements.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q2930v51
title: BindingDB Entry 50039518: Discovery of the first small molecule inhibitor of human DDX3 specifically designed to target the RNA binding site: towards the next generation HIV-1 inhibitors.

description: Small molecule binding data for protein ATP-dependent RNA helicase DDX1 and ATP-dependent RNA helicase DDX3X, Uniprot O00571 and Q92499
DOI: 10.7270/q29s1rv1
title: BindingDB Entry 50037739: Discovery of novel triazole-based opioid receptor antagonists.

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/q2c53mf5
title: BindingDB Entry 50035945: Role of the spacer in conferring kappa opioid receptor selectivity to bivalent ligands related to norbinaltorphimine.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2c53msn
title: BindingDB Entry 50038630: Novel sterically hindered cannabinoid CB1 receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2cz37vx
title: BindingDB Entry 50036834: 2-Carbomethoxy-3-aryl-8-bicyclo[3.2.1]octanes: potent non-nitrogen inhibitors of monoamine transporters.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent dopamine transporter, Uniprot P31645 and Q01959
DOI: 10.7270/q2dj5gfc
title: BindingDB Entry 50037746: N1-Benzoyl-N2-[1-(1-naphthyl)ethyl]-trans-1,2-diaminocyclohexanes: Development of 4-chlorophenylcarboxamide (calhex 231) as a new calcium sensing receptor ligand demonstrating potent calcilytic activity.

description: Small molecule binding data for protein Calcium sensing receptor, Uniprot P48442
DOI: 10.7270/q2dv1kw1
title: BindingDB Entry 50039517: Small molecule inhibitors of the HPV16-E6 interaction with caspase 8.

description: Small molecule binding data for protein Protein E6, Uniprot P03126
DOI: 10.7270/q2fj2hm6
title: BindingDB Entry 50037738: Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction.

description: Small molecule binding data for protein Dopamine Transporter (DAT), GABA transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P23977, P31648, and P31652
DOI: 10.7270/q2gt5ns9
title: BindingDB Entry 50035944: Potential antipsychotic agents. 9. Synthesis and stereoselective dopamine D-2 receptor blockade of a potent class of substituted (R)-N-[(1-benzyl-2-pyrrolidinyl)methyl]benzamides. Relations to other side chain congeners.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2gx4cgm
title: BindingDB Entry 50038629: Kinetic studies and bioactivity of potential manzamine prodrugs.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840 and P49841
DOI: 10.7270/q2hh6kkc
title: BindingDB Entry 50035087: Optimising inhibitors of trypanothione reductase using solid-phase chemistry.

description: Small molecule binding data for protein Glutathione reductase (GR) and Trypanothione reductase, Uniprot P00390 and P28593
DOI: 10.7270/q2hq40m3
title: BindingDB Entry 50036833: Identification of a chemical tool for the orphan nuclear receptor FXR.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2jm2bmr
title: BindingDB Entry 50039516: Caspase-1 and -3 inhibiting drimane sesquiterpenoids from the extremophilic fungus Penicillium solitum.

description: Small molecule binding data for protein Caspase-1 and Caspase-3, Uniprot P29466 and P42574
DOI: 10.7270/q2k938bx
title: BindingDB Entry 50037737: Putative therapeutic agents for the learning and memory deficits of people with Down syndrome.

description: Small molecule binding data for protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot Q61214
DOI: 10.7270/q2kk9cd3
title: BindingDB Entry 50035951: New derivatives of kanamycin B obtained by modifications and substitutions in position 6''. 2. In vitro and computer-aided toxicological evaluation with respect to interactions with phosphatidylinositol.

description: Small molecule binding data for protein Lysosomal phospholipase A1, Uniprot P70470
DOI: 10.7270/q2mp545w
title: BindingDB Entry 50038628: 2-N-Methyl modifications and SAR studies of manzamine A.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2n87b93
title: BindingDB Entry 50035085: NMR line-broadening and transferred NOESY as a medicinal chemistry tool for studying inhibitors of the hepatitis C virus NS3 protease domain.

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A, Uniprot Q4JMH3 A3EZI9
DOI: 10.7270/q2ng4rbf
title: BindingDB Entry 50036832: Synthesis and evaluation of peptidomimetics as selective inhibitors and active site probes of nitric oxide synthases.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric oxide synthase, brain, Uniprot P29473, P29475, and P29477
DOI: 10.7270/q2p26zxg
title: BindingDB Entry 50037744: 4-Substituted-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly selective GlyT1 inhibitors with superior pharmacological and pharmacokinetic parameters.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, Mu-type opioid receptor, Nociceptin receptor, and Voltage-gated potassium channel, Uniprot P35372, P41146, P48067, Q12809, and Q9Y345
DOI: 10.7270/q2p84cxr
title: BindingDB Entry 50039515: Trichostatin analogues JBIR-109, JBIR-110, and JBIR-111 from the marine sponge-derived Streptomyces sp. RM72.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2pz59m5
title: BindingDB Entry 50037736: Design and synthesis of the first generation of dithiolane thiazolidinedione- and phenylacetic acid-based PPARgamma agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2qc043x
title: BindingDB Entry 50035950: Crystal, solution, and molecular modeling structural properties and muscarinic antagonist activity of azaprophen.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and Muscarinic acetylcholine receptor M2, Uniprot P08172 and P11229
DOI: 10.7270/q2qf8trf
title: BindingDB Entry 50038635: Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase.

description: Small molecule binding data for protein Aldehyde dehydrogenase (ALDH2), Uniprot P05091
DOI: 10.7270/q2r78fxc
title: BindingDB Entry 50036839: Use of an additional hydrophobic binding site, the Z site, in the rational drug design of a new class of stronger trypanothione reductase inhibitor, quaternary alkylammonium phenothiazines.

description: Small molecule binding data for protein Glutathione reductase (GR) and Trypanothione reductase, Uniprot P00390 and P28593
DOI: 10.7270/q2rb75hb
title: BindingDB Entry 50038627: Synthesis of 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamides with broad-spectrum human herpesvirus polymerase inhibition.

description: Small molecule binding data for protein DNA polymerase catalytic subunit, Uniprot P04292
DOI: 10.7270/q2s1831t
title: BindingDB Entry 50035084: Highly potent and selective peptide-based inhibitors of the hepatitis C virus serine protease: towards smaller inhibitors.

description: Small molecule binding data for protein Beta-chymotrypsin, Cathepsin (B and K), Hepatitis C virus serine protease, NS3/NS4A, Leukocyte elastase, and Pancreatic elastase, Uniprot P07858, P08246, P08419, and Q4JMH3 A3EZI9
DOI: 10.7270/q2sq916h
title: BindingDB Entry 50037743: Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P23975, P31645, P33261, Q01959, and Q12809
DOI: 10.7270/q2t154ng
title: BindingDB Entry 50039514: Pinophilins A and B, inhibitors of mammalian A-, B-, and Y-family DNA polymerases and human cancer cell proliferation.

description: Small molecule binding data for protein DNA nucleotidylexotransferase, DNA polymerase, DNA polymerase beta, DNA polymerase delta catalytic subunit, DNA polymerase iota, DNA polymerase kappa, DNA polymerase lambda, DNA polymerase nu, DNA-directed DNA/RNA polymerase mu, Deoxyribonuclease-1, Inosine-5'-monophosphate dehydrogenase 2, and Polynucleotide kinase, Uniprot D9IEQ8, P00639, P04415, P06526, P06766, P06855, P24547, P28340, Q6R3M4, Q7Z5Q5, Q9NP87, Q9UBT6, and Q9UGP5
DOI: 10.7270/q2tq629f
title: BindingDB Entry 50037735: A highly selective kappa-opioid receptor agonist with low addictive potential and dependence liability.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2v40vsd
title: BindingDB Entry 50035949: Quaternary salts of 2-[(hydroxyimino)methyl]imidazole. 4. Effect of various side-chain substituents on therapeutic activity against anticholinesterase intoxication.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2w37x67
title: BindingDB Entry 50038626: Design, synthesis, and biological evaluation of novel Tri- and tetrasubstituted imidazoles as highly potent and specific ATP-mimetic inhibitors of p38 MAP kinase: focus on optimized interactions with the enzyme's surface-exposed front region.

description: Small molecule binding data for protein C-RAF, Mitogen-activated protein kinase 14, and Mitogen-activated protein kinase 9, Uniprot P04049, P45984, and Q16539
DOI: 10.7270/q2ws8trf
title: BindingDB Entry 50035083: Selective kappa-opioid antagonists related to naltrindole. Effect of side-chain spacer in the 5'-amidinoalkyl series.

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 P35372, P41143, P41144, P41145, and P97266
DOI: 10.7270/q2xg9rxf
title: BindingDB Entry 50037742: Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin receptor, and mu/kappa opioid receptor, Uniprot P41143, P41144, P47748, and P97266
DOI: 10.7270/q2xs5wch
title: BindingDB Entry 50039513: Chemical constituents from the aerial parts of Aster koraiensis with protein glycation and aldose reductase inhibitory activities.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2zw1mht
title: BindingDB Entry 50035948: Function of negative charge in the"address domain" of deltorphins.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2zw1mtv
title: BindingDB Entry 50038633: The effect of 5-alkyl modification on the biological activity of pyrrolo[2,3-d]pyrimidine containing classical and nonclassical antifolates as inhibitors of dihydrofolate reductase and as antitumor and/or antiopportunistic infection agents.

description: Small molecule binding data for protein Dihydrofolate reductase, Dihydrofolate reductase (DHFR), Thymidylate Synthase (TS), and Thymidylate synthase, Uniprot P00374, P04818, Q07422, and Q920D2
DOI: 10.7270/q20k29kk
title: BindingDB Entry 50039528: Structure-activity relationship study of beta-carboline derivatives as haspin kinase inhibitors.

description: Small molecule binding data for protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, and Serine/threonine-protein kinase haspin, Uniprot Q13627, Q8TF76, and Q92630
DOI: 10.7270/q2183789
title: BindingDB Entry 50037749: Synthesis and structure-activity relationships of truncated bisubstrate inhibitors of aminoglycoside 6'-N-acetyltransferases.

description: Small molecule binding data for protein Aminoglycoside acetyltransferase
DOI: 10.7270/q22n52vq
title: BindingDB Entry 50035955: Quinazoline antifolate thymidylate synthase inhibitors: heterocyclic benzoyl ring modifications.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q22n5355
title: BindingDB Entry 50038640: Structure-based development of novel adenylyl cyclase inhibitors.

description: Small molecule binding data for protein Adenylate cyclase and Adenylate cyclase type 10, Uniprot Q96PN6
DOI: 10.7270/q23j3dp4
title: BindingDB Entry 50036845: Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2474bcv
title: BindingDB Entry 50035091: 3alpha-(4-Substituted phenyl)nortropane-2beta-carboxylic acid methyl esters show selective binding at the norepinephrine transporter.

description: Small molecule binding data for protein Monoamine transporters; Norepininephrine & dopamine, Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q24b3299
title: BindingDB Entry 50039527: Flavimycins A and B, dimeric 1,3-dihydroisobenzofurans with peptide deformylase inhibitory activity from Aspergillus flavipes.

description: Small molecule binding data for protein Peptide Deformylase, Uniprot P68825
DOI: 10.7270/q2514001
title: BindingDB Entry 50037748: Design and synthesis of selective alpha1B adrenoceptor antagonists.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P25100, and P43140
DOI: 10.7270/q26d5tw3
title: BindingDB Entry 50038639: Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase.

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT), Anandamide amidohydrolase, Fatty-acid amide hydrolase 1 (FAAH), and Neutral cholesterol ester hydrolase 1, Uniprot O00519, P23141, P97612, and Q6PIU2
DOI: 10.7270/q27945cd
title: BindingDB Entry 50036844: Discovery of (2S)-1-(4-amino-2,3,5- trimethylphenoxy)-3-[4-[4-(4- fluorobenzyl)phenyl]-1-piperazinyl]-2-propanol dimethanesulfonate (SUN N8075): a dual Na(+) and Ca(2+) channel blocker with antioxidant activity.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q280533k
title: BindingDB Entry 50035090: Synthesis of glutaminyl adenylate analogues that are inhibitors of glutaminyl-tRNA synthetase.

description: Small molecule binding data for protein Glutaminyl-tRNA synthetase, Uniprot P47897
DOI: 10.7270/q2833t1n
title: BindingDB Entry 50039526: Synthesis, SAR and biological evaluation of 1,6-disubstituted-1H-pyrazolo[3,4-d]pyrimidines as dual inhibitors of Aurora kinases and CDK1.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 1, and Serine/threonine-protein kinase Aurora, Uniprot O14965, P06493, and Q96GD4
DOI: 10.7270/q28s4qqn
title: BindingDB Entry 50037747: Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods.

description: Small molecule binding data for protein Ketopantoate reductase, Uniprot P0A9J4
DOI: 10.7270/q2b56kb7
title: BindingDB Entry 50035953: Novel synthesis and biochemical properties of an [125I]-labeled photoaffinity probe for thromboxane A2/prostaglandin H2 receptors.

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2b56kn8
title: BindingDB Entry 50038638: High affinity conformationally constrained nociceptin/orphanin FQ(1-13) amide analogues.

description: Small molecule binding data for protein Nociceptin receptor, Uniprot P41146
DOI: 10.7270/q2bz66r0
title: BindingDB Entry 50036843: 3-Deoxyclocinnamox: the first high-affinity, nonpeptide mu-opioid antagonist lacking a phenolic hydroxyl group.

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/q2cr5tvn
title: BindingDB Entry 50035089: Syntheses of optically pure beta-hydroxyaspartate derivatives as glutamate transporter blockers.

description: Small molecule binding data for protein Excitatory Amino Acid EAAT2, Excitatory amino acid transporter 1, and Excitatory amino acid transporter 3, Uniprot P43003, P43004, and P43005
DOI: 10.7270/q2cv4jrn
title: BindingDB Entry 50039525: Towards the preparation of radiolabeled 1-aryl-3-benzyl ureas: Radiosynthesis of [(11)C-carbonyl] AR-A014418 by [(11)C]CO(2) fixation.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2dz08xd
title: BindingDB Entry 50035960: An approach to the design of receptor-type-selective non-peptide antagonists of peptidergic receptors: delta opioid antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2fx7b16
title: BindingDB Entry 50035952: New derivatives of kanamycin B obtained by combined modifications in positions 1 and 6". Synthesis, microbiological properties, and in vitro and computer-aided toxicological evaluation.

description: Small molecule binding data for protein Lysosomal phospholipase A1, Uniprot P70470
DOI: 10.7270/q2fx7bcp
title: BindingDB Entry 50038637: QSAR study of imidazoline antihypertensive drugs.

description: Small molecule binding data for protein Imidazoline receptor 1 (I1R), Uniprot Q9Y2I1
DOI: 10.7270/q2gq6zfw
title: BindingDB Entry 50036842: Design, synthesis, and pharmacological characterization of 4-[4, 4-dimethyl-3-(4-hydroxybutyl)-5-oxo-2-thioxo-1-imidazolidinyl]- 2-iodobenzonitrile as a high-affinity nonsteroidal androgen receptor ligand.

description: Small molecule binding data for protein Androgen receptor, Uniprot P15207
DOI: 10.7270/q2hm59gc
title: BindingDB Entry 50039524: Discovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Na(v)1.7 antagonists.

description: Small molecule binding data for protein Sodium channel alpha subunit, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot Q12809, Q14524, and Q15858
DOI: 10.7270/q2j9676j
title: BindingDB Entry 50037745: Design of inhibitors of orotidine monophosphate decarboxylase using bioisosteric replacement and determination of inhibition kinetics.

description: Small molecule binding data for protein Orotidine Monophosphate Decarboxylase (ODCase) and Orotidine phosphate decarboxylase, Uniprot O26232 and P03962
DOI: 10.7270/q2jq11xq
title: BindingDB Entry 50038644: Nitrogen-containing flavonoid analogues as CDK1/cyclin B inhibitors: synthesis, SAR analysis, and biological activity.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Uniprot P06493
DOI: 10.7270/q2kp832z
title: BindingDB Entry 50038636: Pyrazole inhibitors of coactivator associated arginine methyltransferase 1 (CARM1).

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Protein arginine methyltransferase 3 (PRMT3), and Protein-arginine N-methyltransferase 1, Uniprot Q86X55
DOI: 10.7270/q2mg7q62
title: BindingDB Entry 50036840: Chemical synthesis and pharmacology of 6- and 7-hydroxylated 2-carbomethoxy-3-(p-tolyl)tropanes: antagonism of cocaine's locomotor stimulant effects.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2n29xrn
title: BindingDB Entry 50037752: Substituted chromones and quinolones as potent melanin-concentrating hormone receptor 1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2nc6263
title: BindingDB Entry 50039523: Methoxychalcone inhibitors of androgen receptor translocation and function.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2pc3300
title: BindingDB Entry 50035958: Synthesis and receptor binding of N-substituted tropane derivatives. High-affinity ligands for the cocaine receptor.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2rv0pgm
title: BindingDB Entry 50037751: Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2s183h3
title: BindingDB Entry 50039522: The discovery of aminopyrazines as novel, potent Na(v)1.7 antagonists: hit-to-lead identification and SAR.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sodium channel alpha subunit, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P08684, P10635, Q12809, Q14524, and Q15858
DOI: 10.7270/q2t43tpg
title: BindingDB Entry 50035957: Role of spacer and address components in peptidomimetic delta opioid receptor antagonists related to naltrindole.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2v125h8
title: BindingDB Entry 50036847: (S)-4-Methyl-2-(methylamino)pentanoic acid [4, 4-bis(4-fluorophenyl)butyl]amide hydrochloride, a novel calcium channel antagonist, is efficacious in several animal models of pain.

description: Small molecule binding data for protein Voltage-gated calcium channel subunit alpha Cav2.2, Uniprot Q00975
DOI: 10.7270/q2v40w49
title: BindingDB Entry 50038634: Refinement of histamine H3 ligands pharmacophore model leads to a new class of potent and selective naphthalene inverse agonists.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1