cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gt5qzc
title: BindingDB Entry 50003803: New pyrimido[5,4-b]indoles and [1]benzothieno[3,2-d]pyrimidines: high affinity ligands for the alpha(1)-adrenoceptor subtypes.

description: Small molecule binding data for protein Adrenergic receptor, Uniprot B0ZBE0, P25100, P35348, and P35368
DOI: 10.7270/q27947f4
title: BindingDB Entry 50003805: Cinnabaramides A-G: analogues of lactacystin and salinosporamide from a terrestrial streptomycete.

description: Small molecule binding data for protein 26S proteosome, Uniprot A0A0K0K1K4, A0A109NGN6, A0A140VJS6, A0A140VK43, A0A140VK44, A0A140VK45, A0A140VK46, A0A1U9X8D7, A0A384NL22, A5LHX3, E9KL30, O14818, P20618, P25786, P25787,A0A024RA52, P25788, P25789, P28062, P28065, P28066, P28070, P28072, P28074, P40306, P49720, P49721, P60900, Q6IAT9, Q8TAA3, Q99436, and X5CMJ9
DOI: 10.7270/q23j3gqd
title: BindingDB Entry 50003806: Selective inhibitory activity against MAO and molecular modeling studies of 2-thiazolylhydrazone derivatives.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P21398 and P56560
DOI: 10.7270/q2zs309d
title: BindingDB Entry 50003807: Towards a new generation of potential antipsychotic agents combining D2 and 5-HT1A receptor activities.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), and Serotonin 1 (5-HT1) receptor, Uniprot P08908, P14842, P19327, P61169, and Q5ZGX3
DOI: 10.7270/q2qc0680
title: BindingDB Entry 50003809: A novel nonnucleoside analogue that inhibits human immunodeficiency virus type 1 isolates resistant to current nonnucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2v127mf
title: BindingDB Entry 50003808: Development of a new methodology for screening of human immunodeficiency virus type 1 microbicides based on real-time PCR quantification.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2kk9fk5
title: BindingDB Entry 50003810: Somatostatin receptor-binding peptides suitable for tumor radiotherapy with Re-188 or Re-186. Chemistry and initial biological studies.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P28646, P30680, P30872, P30874, P30936, P30937, P30938, P31391, P32745, and P35346
DOI: 10.7270/q2ft8psj
title: BindingDB Entry 50003811: (Aryloxyacetylamino)benzoic acid analogues: A new class of hypoxia-inducible factor-1 inhibitors.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2b27z13
title: BindingDB Entry 50003812: alpha 2-adrenoreceptors profile modulation. 2. Biphenyline analogues as tools for selective activation of the alpha 2C-subtype.

description: Small molecule binding data for protein Adenosine receptor A1/Alpha-2A adrenergic receptor, Adrenergic receptor, Imidazoline I2-receptor, and Nischarin, Uniprot P08913, P18089, P18825, P21397, P27338, Q4W594, Q53YE7, and Q9Y2I1
DOI: 10.7270/q22j6fmg
title: BindingDB Entry 50003814: A novel class of inhibitors of peptide deformylase discovered through high-throughput screening and virtual ligand screening.

description: Small molecule binding data for protein Peptide deformylase, Uniprot Q9JN24
DOI: 10.7270/q269769r
title: BindingDB Entry 50003813: Synthesis of tropeines and allosteric modulation of ionotropic glycine receptors.

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563 and Q9JJ16
DOI: 10.7270/q2xs5z5n
title: BindingDB Entry 50003818: Coaxing a pyridine nucleus to give up its aromaticity: synthesis and pharmacological characterization of novel conformationally restricted analogues of nicotine and anabasine.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Uniprot P30926 and P32297
DOI: 10.7270/q2pc3552
title: BindingDB Entry 50003820: Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor.

description: Small molecule binding data for protein Cannabinoid receptor 2, Uniprot A0A024RAH7 and P34972
DOI: 10.7270/q2t43wvj
title: BindingDB Entry 50003819: Insertion of an aspartic acid moiety into cyclic pseudopeptides: synthesis and biological characterization of potent antagonists for the human Tachykinin NK-2 receptor.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, and Neurokinin 3 receptor, Uniprot P21452, P25103, and P29371
DOI: 10.7270/q2jm2ddw
title: BindingDB Entry 50003821: Antiparasitic drug nitazoxanide inhibits the pyruvate oxidoreductases of Helicobacter pylori, selected anaerobic bacteria and parasites, and Campylobacter jejuni.

description: Small molecule binding data for protein Pyruvate-flavodoxin oxidoreductase, Uniprot Q0P8E1
DOI: 10.7270/q2dv1nnq
title: BindingDB Entry 50003822: 1-Methylpyridinium-4-(4-phenylmethanethiosulfonate) iodide, MTS-MPP+, a novel scanning cysteine accessibility method (SCAM) reagent for monoamine transporter studies.

description: Small molecule binding data for protein Sodium-dependent serotonin transporter, Uniprot P31645
DOI: 10.7270/q25b0588
title: BindingDB Entry 50003824: Synthesis, biological testing, and binding mode prediction of 6,9-diarylpurin-8-ones as p38 MAP kinase inhibitors.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2930wx9
title: BindingDB Entry 50003823: Dioxane and oxathiane nuclei: suitable substructures for muscarinic agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3, Muscarinic acetylcholine receptor M2 and M4, and Muscarinic acetylcholine receptor M2 and M5, Uniprot A0A024R3W1, A0A024R9I2, A4D1Q0, P08172, P08173, P08912, P11229, P20309, and Q53XZ3
DOI: 10.7270/q21n83wd
title: BindingDB Entry 50003825: Novel styrylpyridines as probes for SPECT imaging of amyloid plaques.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2ww7mg1
title: BindingDB Entry 50003826: Structure-guided optimization of small molecules inhibiting human immunodeficiency virus 1 Tat association with the human coactivator p300/CREB binding protein-associated factor.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 Tat protein, Uniprot P04608
DOI: 10.7270/q2s46vs2
title: BindingDB Entry 50003827: New diphenylacetylenes as probes for positron emission tomographic imaging of amyloid plaques.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2hm5c72
title: BindingDB Entry 50003830: Design, parallel synthesis and SAR of novel urotensin II receptor agonists.

description: Small molecule binding data for protein Urotensin II receptor, Uniprot Q9UKP6
DOI: 10.7270/q2nc6407
title: BindingDB Entry 50003828: Synthesis and characterization of constrained peptidomimetic dipeptidyl peptidase IV inhibitors: amino-lactam boroalanines.

description: Small molecule binding data for protein Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4), Uniprot P27487
DOI: 10.7270/q2cv4mhb
title: BindingDB Entry 50003831: Synthesis and biological evaluation of novel 5(H)-phenanthridin-6-ones, 5(H)-phenanthridin-6-one diketo acid, and polycyclic aromatic diketo acid analogs as new HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2833vtc
title: BindingDB Entry 50003832: Structure-activity relationship studies of a series of novel delta-lactam-based histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q20p12s1
title: BindingDB Entry 50003834: Synthesis, anti-HIV activity, and resistance profile of thymidine phosphonomethoxy nucleosides and their bis-isopropyloxymethylcarbonyl (bisPOC) prodrugs.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q24f1tgx
title: BindingDB Entry 50003833: Synthesis and in vitro antiplatelet activity of new 4-(1-piperazinyl)coumarin derivatives. Human platelet phosphodiesterase 3 inhibitory properties of the two most effective compounds described and molecular modeling study on their interactions with phosphodiesterase 3A catalytic site.

description: Small molecule binding data for protein Phosphodiesterase 3, Uniprot Q13370 and Q14432
DOI: 10.7270/q2vx0k9r
title: BindingDB Entry 50003835: o-Naphthalenedicarboxaldehyde derivative of 7'-aminonaltrindole as a selective delta-opioid receptor affinity label.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Opioid receptors; mu and delta, Uniprot A2AD37, P32300, P35372, P41143, P41145, and P97266
DOI: 10.7270/q2r49tjb
title: BindingDB Entry 50003836: Synthesis, biochemical, and cellular evaluation of farnesyl monophosphate prodrugs as farnesyltransferase inhibitors.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot A0A384MEJ5, P49354, and P49356
DOI: 10.7270/q2mc92sj
title: BindingDB Entry 50003837: Synthesis and anti-HIV activity of new metabolically stable alkenyldiarylmethane non-nucleoside reverse transcriptase inhibitors incorporating N-methoxy imidoyl halide and 1,2,4-oxadiazole systems.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2gm8b27
title: BindingDB Entry 50003838: Multistructure 3D-QSAR studies on a series of conformationally constrained butyrophenones docked into a new homology model of the 5-HT2A receptor.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Uniprot P14842
DOI: 10.7270/q2765j3q
title: BindingDB Entry 50003840: Rationally designed dual inhibitors of HIV reverse transcriptase and integrase.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353 and Q9WKE8
DOI: 10.7270/q2bv7kdd
title: BindingDB Entry 50003839: Abietane diterpenes from Salvia miltiorrhiza inhibit the activation of hypoxia-inducible factor-1.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q23f4sfw
title: BindingDB Entry 50003842: Design, synthesis, and biological evaluation of tricyclic heterocycle-tetraamine conjugates as potent NMDA channel blockers.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor and NR1/NR2A, Uniprot Q05586, Q12879, Q13224, and Q547U9
DOI: 10.7270/q2tx3j4x
title: BindingDB Entry 50003844: Isoindolone derivatives, a new class of 5-HT2C antagonists: synthesis and biological evaluation.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, and 5-hydroxytryptamine receptor 2C, Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2zp48wp
title: BindingDB Entry 50003843: 2,6-Disubstituted N-arylsulfonyl piperidines as gamma-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2q52sc2
title: BindingDB Entry 50003846: 5-HT2C antagonists based on fused heterotricyclic templates: design, synthesis and biological evaluation.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, and 5-hydroxytryptamine receptor 2C, Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2kd21nq
title: BindingDB Entry 50003847: Trimethylsilylpyrazoles as novel inhibitors of p38 MAP kinase: a new use of silicon bioisosteres in medicinal chemistry.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2fn18zf
title: BindingDB Entry 50003848: From dihydroxypyrimidine carboxylic acids to carboxamide HIV-1 integrase inhibitors: SAR around the amide moiety.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q29z97pb
title: BindingDB Entry 50003849: Design, synthesis, inhibitory activity, and SAR studies of pyrrolidine derivatives as neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q22f7r7m
title: BindingDB Entry 50003851: Dibenzothiazoles as novel amyloid-imaging agents.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2668h0s
title: BindingDB Entry 50003850: Quantitative structure-selectivity relationship for M2 selectivity between M1 and M2 of piperidinyl piperidine derivatives as muscarinic antagonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3 and Muscarinic acetylcholine receptor M2 and M5, Uniprot A4D1Q0, P08172, P11229, and Q53XZ3
DOI: 10.7270/q2xp77qv
title: BindingDB Entry 50003852: Structural requirements of HDAC inhibitors: SAHA analogs functionalized adjacent to the hydroxamic acid.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2sx6h0j
title: BindingDB Entry 50003854: Synthesis and anti-HIV studies of 2-adamantyl-substituted thiazolidin-4-ones.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2jd50k7
title: BindingDB Entry 50003856: Caffeoylglycolic and caffeoylamino acid derivatives, halfmers of L-chicoric acid, as new HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2p55r84
title: BindingDB Entry 50003855: Polyphenols based on isoflavones as inhibitors of Helicobacter pylori urease.

description: Small molecule binding data for protein Urease subunit beta, Uniprot P69996
DOI: 10.7270/q29026k8
title: BindingDB Entry 50003859: 7-Substituted-melatonin and 7-substituted-1-methylmelatonin analogues: effect of substituents on potency and binding affinity.

description: Small molecule binding data for protein Melatonin 1C and Melatonin receptor, Uniprot P48039, P49219, and P49286
DOI: 10.7270/q2dr2z8v
title: BindingDB Entry 50003858: Antileukotrienic N-arylethyl-2-arylacetamides in the treatment of ulcerative colitis.

description: Small molecule binding data for protein Leukotriene B4 receptor 2, Uniprot Q9NPC1
DOI: 10.7270/q2571fsn
title: BindingDB Entry 50003860: Guanidine and 2-aminoimidazoline aromatic derivatives as alpha(2)-adrenoceptor antagonists, 1: toward new antidepressants with heteroatomic linkers.

description: Small molecule binding data for protein Adrenergic receptor alpha-2, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q21g0q1w
title: BindingDB Entry 50003861: Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.

description: Small molecule binding data for protein HIV-1 protease and Protease, Uniprot O90781 and Q9YQ12
DOI: 10.7270/q2rx9ft9
title: BindingDB Entry 50003863: Second generation tetrahydroquinoline-based protein farnesyltransferase inhibitors as antimalarials.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot A0A384MEJ5, P49354, and P49356
DOI: 10.7270/q2wq06jk
title: BindingDB Entry 50003862: Synthesis and structure-affinity relationships of new 4-(6-iodo-H-imidazo[1,2-a]pyridin-2-yl)-N-dimethylbenzeneamine derivatives as ligands for human beta-amyloid plaques.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2hh6ntb
title: BindingDB Entry 50003865: High-efficacy 5-HT1A agonists for antidepressant treatment: a renewed opportunity.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Serotonin 1 (5-HT1) receptor, Uniprot P08908, P19327, and Q5ZGX3
DOI: 10.7270/q2n58q4r
title: BindingDB Entry 50003864: Synthesis and biological evaluation of alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors that possess increased hydrolytic stability.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2cr5x4g
title: BindingDB Entry 50003866: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 2 receptor, Uniprot P21452
DOI: 10.7270/q2474dmt
title: BindingDB Entry 50003868: 4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase; MEK1/2, Uniprot A4QPA9, P36507, and Q02750
DOI: 10.7270/q28055c0
title: BindingDB Entry 50003867: Synthesis and radioligand binding studies of bis-isoquinolinium derivatives as small conductance Ca(2+)-activated K(+) channel blockers.

description: Small molecule binding data for protein Small conductance calcium-activated potassium channel, Uniprot P70604, P70605, and P70606
DOI: 10.7270/q20g3nw3
title: BindingDB Entry 50003869: Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Adrenergic receptor alpha-2, Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Histamine H1 receptor, Muscarinic acetylcholine receptor M1 and M3, Muscarinic acetylcholine receptor M2 and M4, and Sodium-dependent serotonin transporter, Uniprot A0A024R3C5, P08173, P08908, P11229, P14416, P15823, P19328, P21917, P22086, P23944, P28223, P28335, P31389, P31645, P34969, P35462, P41595, P43140, P50406, Q53XZ3, and Q5ZGX3
DOI: 10.7270/q2qz2dqx
title: BindingDB Entry 50003872: Radioiodinated aza-diphenylacetylenes as potential SPECT imaging agents for beta-amyloid plaque detection.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2vq35d6
title: BindingDB Entry 50003870: Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2m90cfp
title: BindingDB Entry 50003873: Design and synthesis of benzoazepinone-derived cyclic malonamides and aminoamides as potent gamma-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2br8vz7
title: BindingDB Entry 50003875: Thiotetrazole alkynylacetanilides as potent and bioavailable non-nucleoside inhibitors of the HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2gh9mrv
title: BindingDB Entry 50003874: Design, synthesis, and biological activity of folate receptor-targeted prodrugs of thiolate histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2708465
title: BindingDB Entry 50003876: N-(5-chloro-2-(hydroxymethyl)-N-alkyl-arylsulfonamides as gamma-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2377cgf
title: BindingDB Entry 50003877: Methylpendolmycin, an indolactam from a Nocardiopsis sp.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot P09217
DOI: 10.7270/q2zg6w05
title: BindingDB Entry 50003878: Structure-activity relationships of semisynthetic mumbaistatin analogs.

description: Small molecule binding data for protein Glucose-6-phosphate exchanger SLC37A4, Uniprot A0A024R3H9 and O43826
DOI: 10.7270/q2tq64bq
title: BindingDB Entry 50003879: Anti-aids agents, 6. Salaspermic acid, an anti-HIV principle from Tripterygium wilfordii, and the structure-activity correlation with its related compounds.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2k93b99
title: BindingDB Entry 50003882: Synthesis, biological evaluation, and molecular modeling of 3,5-substituted-N1-phenyl-N4,N4-di-n-butylsulfanilamides as antikinetoplastid antimicrotubule agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2q2430k
title: BindingDB Entry 50003880: Brominated polyacetylenic acids from the marine sponge Xestospongia muta: inhibitors of HIV protease.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2fj2kj4
title: BindingDB Entry 50003883: Pomiferin, histone deacetylase inhibitor isolated from the fruits of Maclura pomifera.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2280bc2
title: BindingDB Entry 50003887: Virtual screening application of a model of full-length HIV-1 integrase complexed with viral DNA.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q261132b
title: BindingDB Entry 50003886: Toward novel HIV-1 integrase binding inhibitors: molecular modeling, synthesis, and biological studies.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q29s1tsz
title: BindingDB Entry 50003884: Aaptamines as sortase A inhibitors from the tropical sponge Aaptos aaptos.

description: Small molecule binding data for protein Sortase A (SrtA), Uniprot Q9S446
DOI: 10.7270/q2xg9tx8
title: BindingDB Entry 50003888: Thiazole-diamides as potent gamma-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2p271w7
title: BindingDB Entry 50003890: Dihydroxypyridopyrazine-1,6-dione HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2st7skt
title: BindingDB Entry 50003889: A refined agonist pharmacophore for protease activated receptor 2.

description: Small molecule binding data for protein Proteinase-activated receptor 2, Uniprot P55085
DOI: 10.7270/q2dj5jc9
title: BindingDB Entry 50003892: Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO), Uniprot A7J8L2 and P0C6X7
DOI: 10.7270/q2j9694g
title: BindingDB Entry 50003891: Discovery of potent HIV-1 protease inhibitors incorporating sulfoximine functionality.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q28s4snk
title: BindingDB Entry 50003893: Novel orally active, dibenzazepinone-based gamma-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768