cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2ht2s8d
title: BindingDB Entry 50005692: Probing structural requirements of positive allosteric modulators of the M4 muscarinic receptor.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2 and M4, Uniprot P08173
DOI: 10.7270/q2d221jc
title: BindingDB Entry 50005693: Structure-based identification of novel PPAR gamma ligands.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q28918tn
title: BindingDB Entry 50005694: Modulation of A2B adenosine receptor by 1-Benzyl-3-ketoindole derivatives.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P30542, and X5DNB4
DOI: 10.7270/q24m97gn
title: BindingDB Entry 50005695: Synthesis and biological evaluation of novel delta (δ) opioid receptor ligands with diazatricyclodecane skeletons.

description: Small molecule binding data for protein Kappa-type opioid receptor and Opioid receptors; mu and delta, Uniprot A2AD37, P32300, P33534, P42866, and Q14AL5
DOI: 10.7270/q20v8grx
title: BindingDB Entry 50005696: Design, synthesis and biological activities of some 7-aminocephalosporanic acid derivatives.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2w3808b
title: BindingDB Entry 50005697: Carbonic anhydrase inhibitors. Synthesis of heterocyclic 4-substituted pyridine-3-sulfonamide derivatives and their inhibition of the human cytosolic isozymes I and II and transmembrane tumor-associated isozymes IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2rb77jm
title: BindingDB Entry 50005700: Monoamine oxidase inhibitory activity of 3,5-biaryl-4,5-dihydro-1H-pyrazole-1-carboxylate derivatives.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2mk6gtw
title: BindingDB Entry 50005701: Novel 6β-acylaminomorphinans with analgesic activity.

description: Small molecule binding data for protein Kappa-type opioid receptor and Opioid receptors; mu and delta, Uniprot A2AD37, P32300, P33534, P42866, and Q14AL5
DOI: 10.7270/q2gt5r41
title: BindingDB Entry 50005705: Discovery of a potent dual EGFR/HER-2 inhibitor L-2 (selatinib) for the treatment of cancer.

description: Small molecule binding data for protein MER intracellular domain/EGFR extracellular domain chimera and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533, P04626, and X5DNK3
DOI: 10.7270/q27d2z25
title: BindingDB Entry 50005707: Anabaseine analogues as modulators of nicotinic acetylcholine receptor.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483, P12390, and Q05941
DOI: 10.7270/q2c250d0
title: BindingDB Entry 50005706: Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.

description: Small molecule binding data for protein Glutamate receptor AMPA 2/4, Uniprot P19491
DOI: 10.7270/q23n26bt
title: BindingDB Entry 50005708: 3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Uniprot G4XH65 and P03372
DOI: 10.7270/q2zw1pv4
title: BindingDB Entry 50005710: Development of a novel fluorine-18 labeled deuterated fluororasagiline ([(18)F]fluororasagiline-D2) radioligand for PET studies of monoamino oxidase B (MAO-B).

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2v40z44
title: BindingDB Entry 50005713: Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase V, and Carbonic anhydrases; II & IX, Uniprot A0A024RBW9, A0A0S2Z3D0, O43570, P00915, P00918, P35218, Q16790, Q9Y2D0, V9HW21, and V9HWE3
DOI: 10.7270/q2qc06f7
title: BindingDB Entry 50005715: Binding mode characterization of 6α- and 6β-N-heterocyclic substituted naltrexamine derivatives via docking in opioid receptor crystal structures and site-directed mutagenesis studies: application of the 'message-address' concept in development of mu opioid receptor selective antagonists.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2kk9frd
title: BindingDB Entry 50005717: Towards new C6-rigid S-DABO HIV-1 reverse transcriptase inhibitors: synthesis, biological investigation and molecular modeling studies.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2ft8q0n
title: BindingDB Entry 50005718: Structure-activity relationships and discovery of a G protein biased μ opioid receptor ligand, [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine (TRV130), for the treatment of acute severe pain.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Delta-type opioid receptor, Kappa-type opioid receptor, L-type calcium channel alpha-1c/beta-2/alpha2delta-1, Mu-type opioid receptor, and Sodium channel protein type 5 subunit alpha, Uniprot P35372, P40989, P41143, P41145, Q13936, and Q14524
DOI: 10.7270/q2b56npj
title: BindingDB Entry 50005719: Further SAR studies on bicyclic basic merbarone analogues as potent antiproliferative agents.

description: Small molecule binding data for protein Topoisomerase I/II, Uniprot P11388
DOI: 10.7270/q26d5wzt
title: BindingDB Entry 50005720: Design and bio-evaluation of indole derivatives as potent Kv1.5 inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Voltage-gated potassium channel, Uniprot P22460 and P40989
DOI: 10.7270/q22n557w
title: BindingDB Entry 50005721: Reversible inhibition of human acetylcholinesterase by methoxypyridinium species.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2xw4nr6
title: BindingDB Entry 50005722: Design and synthesis of novel pyrimidone analogues as HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2pc35b9
title: BindingDB Entry 50005724: Synthesis, docking, and biological studies of phenanthrene β-diketo acids as novel HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2t43x16
title: BindingDB Entry 50005723: Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, A8K3J4, O43570, P00918, P23280, P43166, Q16790, Q8N1Q1, Q9ULX7, and V9HW21
DOI: 10.7270/q2jq13z0
title: BindingDB Entry 50005726: Discovery of 2-aryl-8-hydroxy (or methoxy)-isoquinolin-1(2H)-ones as novel EGFR inhibitor by scaffold hopping.

description: Small molecule binding data for protein MER intracellular domain/EGFR extracellular domain chimera, Uniprot P00533
DOI: 10.7270/q2dz0c84
title: BindingDB Entry 50005727: Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Uniprot Q07343 and X5DNX5
DOI: 10.7270/q25d8vtf
title: BindingDB Entry 50005729: N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Opioid receptors; mu and delta, Uniprot A0A385KNU8, A2AD37, P32300, P42866, P47746, and P47936
DOI: 10.7270/q2959mj5
title: BindingDB Entry 50005728: Hit-to-lead optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as a novel class of EP1 receptor antagonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Uniprot P34995, P35408, P43115, and P43116
DOI: 10.7270/q21n843h
title: BindingDB Entry 50005731: Perindopril and ramipril phosphonate analogues as a new class of angiotensin converting enzyme inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2ww7mn8
title: BindingDB Entry 50005733: Development of novel ferulic acid derivatives as potent 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/q2s46vz9
title: BindingDB Entry 50005734: Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot O43570, P00915, P00918, P23280, P43166, Q8N1Q1, V9HW21, and V9HWE3
DOI: 10.7270/q2ng4tkd
title: BindingDB Entry 50005736: Inhibition of human carbonic anhydrase isoforms I-XIV with sulfonamides incorporating fluorine and 1,3,5-triazine moieties.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase V, and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, A8K3J4, O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q8N1Q1, Q9ULX7, V9HW21, V9HWA3, and V9HWE3
DOI: 10.7270/q2cz3b4r
title: BindingDB Entry 50005739: Design, synthesis and biological evaluation of N2,N4-disubstituted-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine derivatives as HIV-1 NNRTIs.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2hq42v2
title: BindingDB Entry 50005737: Design and synthesis of novel 3,5-bis-N-(aryl/heteroaryl) carbamoyl-4-aryl-1,4-dihydropyridines as small molecule BACE-1 inhibitors.

description: Small molecule binding data for protein Beta-secretase (BACE), Uniprot A0A024R3D7 and P56817
DOI: 10.7270/q2862kdb
title: BindingDB Entry 50005740: GluK1 antagonists from 6-(carboxy)phenyl decahydroisoquinoline derivatives. SAR and evaluation of a prodrug strategy for oral efficacy in pain models.

description: Small molecule binding data for protein Glutamate receptor AMPA 1/2 and Glutamate receptor ionotropic kainate, Uniprot P39086 and P42262
DOI: 10.7270/q24f1tpm
title: BindingDB Entry 50005744: Design, synthesis and biological evaluation of di-substituted cinnamic hydroxamic acids bearing urea/thiourea unit as potent 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/q20p12z8
title: BindingDB Entry 50005746: Mastering tricyclic ring systems for desirable functional cannabinoid activity.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot A0A024RAH7, P20272, P21554, P34972, and S5TLS4
DOI: 10.7270/q2vx0kg0
title: BindingDB Entry 50005747: Design, synthesis, and bioevaluation of viral 3C and 3C-like protease inhibitors.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO), Uniprot A7J8L2 and P0C6X7
DOI: 10.7270/q2mg7sgg
title: BindingDB Entry 50005749: Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Cyclooxygenase, and Prostaglandin E synthase/G/H synthase 2, Uniprot P12821, P23219, and P35354
DOI: 10.7270/q2r78j5r
title: BindingDB Entry 50005748: Synthesis and evaluation of N-alkyl-S-[3-(piperidin-1-yl)propyl]isothioureas: high affinity and human/rat species-selective histamine H(3) receptor antagonists.

description: Small molecule binding data for protein Histamine receptor (H3 and H4), Uniprot Q9Y5N1
DOI: 10.7270/q2bz690c
title: BindingDB Entry 50005751: 6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-5-hexenoic acids as dual inhibitors of recombinant HIV-1 integrase and ribonuclease H, synthesized by a parallel synthesis approach.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353 and Q9WKE8
DOI: 10.7270/q2gq71qp
title: BindingDB Entry 50005750: Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q23f4skp
title: BindingDB Entry 50005753: Design, optimization, and biological evaluation of novel keto-benzimidazoles as potent and selective inhibitors of phosphodiesterase 10A (PDE10A).

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Uniprot A0A1B1UZR0 and Q9Y233
DOI: 10.7270/q2765j8z
title: BindingDB Entry 50005752: Clicking 3'-azidothymidine into novel potent inhibitors of human immunodeficiency virus.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2v127sp
title: BindingDB Entry 50005755: 4β-Methyl-5-(3-hydroxyphenyl)morphan opioid agonist and partial agonist derived from a 4β-methyl-5-(3-hydroxyphenyl)morphan pure antagonist.

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/q2zp492b
title: BindingDB Entry 50005754: Design, synthesis, and biological evaluation of 2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidinyl derivatives as new irreversible epidermal growth factor receptor inhibitors with improved pharmacokinetic properties.

description: Small molecule binding data for protein Epidermal growth factor receptor and MER intracellular domain/EGFR extracellular domain chimera, Uniprot P00533, P04626, P21860, Q15303, and X5DNK3
DOI: 10.7270/q2kh0r96
title: BindingDB Entry 50005760: Synthesis and pharmacological evaluation of aminothiazolomorphinans at the mu and kappa opioid receptors.

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/q2q81h2c
title: BindingDB Entry 50005759: Metabolically stable dibenzo[b,e]oxepin-11(6H)-ones as highly selective p38 MAP kinase inhibitors: optimizing anti-cytokine activity in human whole blood.

description: Small molecule binding data for protein p38 MAP kinase alpha/beta, Uniprot A0A024RD15 and Q16539
DOI: 10.7270/q29z97vk
title: BindingDB Entry 50005764: Targeting the hydrophobic region of Hsp90's ATP binding pocket with novel 1,3,5-triazines.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/Hsp90 co-chaperone Cdc37, Uniprot K9JA46 and P07900
DOI: 10.7270/q2fr00kv
title: BindingDB Entry 50005762: Modulators of the Sphingosine 1-phosphate receptor 1.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3, Uniprot A0A024R7B2, O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q22f7rdv
title: BindingDB Entry 50005766: Quinones bearing non-steroidal anti-inflammatory fragments as multitarget ligands for Alzheimer's disease.

description: Small molecule binding data for protein Beta amyloid A4 protein and Cholinesterases; ACHE & BCHE, Uniprot A0A140VJC8, P05067, P06276, and P22303
DOI: 10.7270/q2668h4k
title: BindingDB Entry 50005765: Discovery, design and synthesis of a selective S1P(3) receptor allosteric agonist.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3, Uniprot A0A024R7B2, O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2t156mv
title: BindingDB Entry 50005770: Novel polyamine analogues: from substrates towards potential inhibitors of monoamine oxidases.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2xs5zbw
title: BindingDB Entry 50005767: GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.

description: Small molecule binding data for protein Glutamate receptor AMPA 1/2 and Glutamate receptor ionotropic kainate, Uniprot P39086 and P42262
DOI: 10.7270/q2p84fvp
title: BindingDB Entry 50005771: Synthetic cannabinoid quinones: preparation, in vitro antiproliferative effects and in vivo prostate antitumor activity.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q2jh3q4c
title: BindingDB Entry 50005772: Design, synthesis, and biological evaluation of 14-heteroaromatic-substituted naltrexone derivatives: pharmacological profile switch from mu opioid receptor selectivity to mu/kappa opioid receptor dual selectivity.

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/q29026q2
title: BindingDB Entry 50005775: A stereoselective approach to peptidomimetic BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase (BACE), Uniprot A0A024R3D7 and P56817
DOI: 10.7270/q2dr2zf3
title: BindingDB Entry 50005773: Novel state-dependent voltage-gated sodium channel modulators, based on marine alkaloids from Agelas sponges.

description: Small molecule binding data for protein Sodium channel alpha subunit, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 9 subunit alpha, Uniprot P35499, Q14524, Q15858, and Q9NY46
DOI: 10.7270/q2571fzw
title: BindingDB Entry 50005776: Design and synthesis of P1-P3 macrocyclic tertiary-alcohol-comprising HIV-1 protease inhibitors.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q21j9dq7
title: BindingDB Entry 50005777: Santacruzamate A, a potent and selective histone deacetylase inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 2, Cereblon/Histone deacetylase 4, and Cereblon/Histone deacetylase 6, Uniprot A0A024QZ26, P56524, Q92769, and Q9UBN7
DOI: 10.7270/q2ws8x6h
title: BindingDB Entry 50005780: Identification of CB1/CB2 ligands from Zanthoxylum bungeanum.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q2s185f1
title: BindingDB Entry 50005781: 8-(2-Furyl)adenine derivatives as A₂A adenosine receptor ligands.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, and Adenosine receptors; A2a & A2b, Uniprot P0DMS8, P29274, P29275, P30542, and X5DNB4
DOI: 10.7270/q2n87dq9
title: BindingDB Entry 50005783: Synthesis of novel 1,2,3-triazole based benzoxazolinones: their TNF-α based molecular docking with in-vivo anti-inflammatory, antinociceptive activities and ulcerogenic risk evaluation.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin E synthase/G/H synthase 2, Uniprot P23219 and P35354
DOI: 10.7270/q2hh6p00
title: BindingDB Entry 50005784: 3-Azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane derivatives: from wild-type inhibitors of the M2 ion channel of influenza A virus to derivatives with potent activity against the V27A mutant.

description: Small molecule binding data for protein Matrix protein 2, Uniprot Q20MD5
DOI: 10.7270/q2cr5x88
title: BindingDB Entry 50005785: Unraveling phosphodiesterase surfaces. Identification of phosphodiesterase 7 allosteric modulation cavities.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Uniprot Q13946
DOI: 10.7270/q28055j7
title: BindingDB Entry 50005786: Molecular basis for the long duration of action and kinetic selectivity of tiotropium for the muscarinic M3 receptor.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3 and Muscarinic acetylcholine receptor M2 and M5, Uniprot A0A024R3W1, A4D1Q0, P08172, and P20309
DOI: 10.7270/q24b348p
title: BindingDB Entry 50005787: Discovery of 3,4-Dihydropyrimidin-2(1H)-ones As a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, and Adenosine receptors; A2a & A2b, Uniprot P0DMS8, P29274, P29275, P30542, and X5DNB4
DOI: 10.7270/q20k2cjz
title: BindingDB Entry 50005788: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase and RAF proto-oncogene serine/threonine-protein kinase, Uniprot A4QPA9, L7RRS6, P04049, and Q02750
DOI: 10.7270/q2vt1w2p
title: BindingDB Entry 50005789: Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2r214bn
title: BindingDB Entry 50005790: Sphingosine-1-phosphate (S1P) Receptor Modulators Provide Potential for Diverse Treatments.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Uniprot P21453
DOI: 10.7270/q2m90cmx
title: BindingDB Entry 50005793: Phenylspirodrimanes with anti-HIV activity from the sponge-derived fungus Stachybotrys chartarum MXH-X73.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2gh9mwn
title: BindingDB Entry 50005795: Protease inhibitors from Microcystis aeruginosa bloom material collected from the Dalton Reservoir, Israel.

description: Small molecule binding data for protein Thrombin and coagulation factor X and Trypsin, Uniprot P00734, P07477, P07478, P35030, and Q5NV56
DOI: 10.7270/q2br8w4w
title: BindingDB Entry 50005797: Selective cannabinoid receptor type 2 (CB2) agonists: optimization of a series of purines leading to the identification of a clinical candidate for the treatment of osteoarthritic pain.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot A0A024RAH7, C6G964, P20272, P21554, P34972, P40989, Q9QZN9, and S5TLS4
DOI: 10.7270/q2736tv7
title: BindingDB Entry 50005799: 6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3β inhibitors.

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Uniprot P49841 and Q6FI27
DOI: 10.7270/q23b633v
title: BindingDB Entry 50005801: Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12