cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q25t3p70
title: BindingDB Entry 50003724: Novel inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates.

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/q2222xhk
title: BindingDB Entry 50003725: Synthesis and biological evaluation of a new series of 2,3,5-substituted [1,2,4]-thiadiazoles as modulators of adenosine A1 receptors and their molecular mechanism of action.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q2x92f1p
title: BindingDB Entry 50003726: CH...O and CH...N hydrogen bonds in ligand design: a novel quinazolin-4-ylthiazol-2-ylamine protein kinase inhibitor.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot A0A024R0L5, P49840, P49841, and Q6FI27
DOI: 10.7270/q2sj1pbd
title: BindingDB Entry 50003727: Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P15207
DOI: 10.7270/q2j38wbw
title: BindingDB Entry 50003729: N- and C-terminal modifications of nociceptin/orphanin FQ generate highly potent NOP receptor ligands.

description: Small molecule binding data for protein Nociceptin receptor and Nociceptin/Orphanin FQ, NOP receptor, Uniprot P35377, P41146, P47748, and Q542U1
DOI: 10.7270/q2ns0xn4
title: BindingDB Entry 50003728: Application of a flexible synthesis of (5R)-thiolactomycin to develop new inhibitors of type I fatty acid synthase.

description: Small molecule binding data for protein Fatty acid synthase, Uniprot P49327
DOI: 10.7270/q2db84n0
title: BindingDB Entry 50003730: Major effect of pyrrolic N-benzylation in norbinaltorphimine, the selective kappa-opioid receptor antagonist.

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P41145
DOI: 10.7270/q24t6n42
title: BindingDB Entry 50003732: Discovery of novel quinoline-based estrogen receptor ligands using peptide interaction profiling.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q28k7cvc
title: BindingDB Entry 50003731: N-substituted piperidinyl alkyl imidazoles: discovery of methimepip as a potent and selective histamine H3 receptor agonist.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 receptor, and Histamine receptor (H3 and H4), Uniprot P25021, P35367, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2125wdn
title: BindingDB Entry 50003733: Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach.

description: Small molecule binding data for protein Serum albumin, Uniprot P02768
DOI: 10.7270/q2mw2kwm
title: BindingDB Entry 50003736: 3-(2-Aminoethyl)pyridine analogs as alpha4beta2 nicotinic cholinergic receptor ligands.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2rj4n7g
title: BindingDB Entry 50003735: Synthesis and antibacterial activity of a novel series of DNA gyrase inhibitors: 5-[(E)-2-arylvinyl]pyrazoles.

description: Small molecule binding data for protein DNA Gyrase and DNA Topoisomerase IV Subunit A, Uniprot P0AES4, P0AES6, and P0AFI2
DOI: 10.7270/q2w95cxb
title: BindingDB Entry 50003734: Synthesis and antibacterial activity of 1-(2-fluorovinyl)-7-substituted-4-quinolone-3-carboxylic acid derivatives, conformationally restricted analogues of fleroxacin.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P66936
DOI: 10.7270/q2cc13f8
title: BindingDB Entry 50003739: Identification of a potent and selective 5-HT1B receptor antagonist.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Serotonin (5-HT) receptor, Uniprot P08908, P28221, P28222, Q5ZGX3, and X5D7I5
DOI: 10.7270/q2h41v62
title: BindingDB Entry 50003737: Epibatidine analogues as selective ligands for the alpha(x)beta2-containing subtypes of nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor Alpha-3/Beta-4, Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Uniprot P04757, P09483, P12389, P12390, and P12392
DOI: 10.7270/q27m0bp3
title: BindingDB Entry 50003741: Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 2. Structure-activity relationships of the 7- and 5-, 6-, 8-positions.

description: Small molecule binding data for protein Tubulin beta-4B chain, Uniprot P68371
DOI: 10.7270/q2028v9q
title: BindingDB Entry 50003744: Bicyclic heteroarylpiperazines as selective brain penetrant 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 6 and Serotonin (5-HT) receptor, Uniprot P31388 and P50406
DOI: 10.7270/q23t9kzt
title: BindingDB Entry 50003743: Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot A0A024R3W1, A0A024R9I2, A4D1Q0, P08172, P08173, P08912, P11229, P20309, and Q53XZ3
DOI: 10.7270/q2v98bvv
title: BindingDB Entry 50003745: A new antitumor compound from the plant Oryctanthus sp. as a VEGF receptor binding inhibitor.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P35968
DOI: 10.7270/q2qn69hd
title: BindingDB Entry 50003746: Bis(indole) alkaloids as sortase A inhibitors from the sponge Spongosorites sp.

description: Small molecule binding data for protein Sortase A (SrtA), Uniprot Q9S446
DOI: 10.7270/q2g44t17
title: BindingDB Entry 50003748: High affinity electrophilic and photoactivatable covalent endocannabinoid probes for the CB1 receptor.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272 and P47936
DOI: 10.7270/q2kw5jsp
title: BindingDB Entry 50003747: Alkyl-substituted polyaminohydroxamic acids: a novel class of targeted 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/q2bc428f
title: BindingDB Entry 50003749: Scaffold hopping with molecular field points: identification of a cholecystokinin-2 (CCK2) receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists.

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P56481, Q3ZB46, and Q63931
DOI: 10.7270/q26m39jq
title: BindingDB Entry 50003750: Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta, Uniprot P10826
DOI: 10.7270/q22v2jvf
title: BindingDB Entry 50003751: Structure-activity relationships in 1,4-benzodioxan-related compounds. 8.(1) {2-[2-(4-chlorobenzyloxy)phenoxy]ethyl}-[2-(2,6-dimethoxyphenoxy)ethyl]amine (clopenphendioxan) as a tool to highlight the involvement of alpha1D- and alpha1B-adrenoreceptor subtypes in the regulation of human PC-3 prostate

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Adrenergic receptor, Uniprot B0ZBE0, P08908, P25100, P35348, P35368, and Q5ZGX3
DOI: 10.7270/q2tf0139
title: BindingDB Entry 50003753: Molecular docking and 3D-QSAR on 2-(oxalylamino) benzoic acid and its analogues as protein tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot A8K3M3 and P18031
DOI: 10.7270/q2z322d9
title: BindingDB Entry 50003752: Conformationally restricted analogs of Combretastatin A-4 derived from SU5416.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2pn98dg
title: BindingDB Entry 50003754: 3D-QSAR studies on cannabinoid CB1 receptor agonists: G-protein activation as biological data.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272
DOI: 10.7270/q2jw8hn9
title: BindingDB Entry 50003755: Aromatic sulfide inhibitors of histone deacetylase based on arylsulfinyl-2,4-hexadienoic acid hydroxyamides.

description: Small molecule binding data for protein Hdac5 protein and Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q5RJZ2, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2f47rwf
title: BindingDB Entry 50003756: Hexylitaconic acid: a new inhibitor of p53-HDM2 interaction isolated from a marine-derived fungus, Arthrinium sp.

description: Small molecule binding data for protein MDM2-MDMX, Uniprot Q00987
DOI: 10.7270/q25m68g7
title: BindingDB Entry 50003758: Pulvinones as bacterial cell wall biosynthesis inhibitors.

description: Small molecule binding data for protein MurA (E. coli), MurB (E. coli), MurC, MurC (S. aureus), MurD, MurD (S. aureus), and UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1, Uniprot A0A6D2W2Q3, O31211, P08373, P0A091, P0A749, P14900, P17952, P84058, and W8U6P9
DOI: 10.7270/q29c715h
title: BindingDB Entry 50003757: NBD-labeled derivatives of the immunomodulatory drug FTY720 as tools for metabolism and mode of action studies.

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 O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q21z4757
title: BindingDB Entry 50003759: Effect of polyamine homologation on the transport and biological properties of heterocyclic amidines.

description: Small molecule binding data for protein Phosphodiesterase 1, Uniprot P14100 and Q01061
DOI: 10.7270/q2x63qq9
title: BindingDB Entry 50003760: Side-chain modified analogues of histaprodifen: asymmetric synthesis and histamine H1-receptor activity.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P31389
DOI: 10.7270/q2sf2zz4
title: BindingDB Entry 50003761: 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b.

description: Small molecule binding data for protein HM74 nicotinic acid GPCR, Uniprot P49019
DOI: 10.7270/q2np276r
title: BindingDB Entry 50003762: Structure-activity relationship study of 1,4-dihydropyridine derivatives blocking N-type calcium channels.

description: Small molecule binding data for protein Voltage-dependent L-type calcium channel subunit alpha-1S and Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3, Uniprot Q00975 and Q02485
DOI: 10.7270/q2hx1gfk
title: BindingDB Entry 50003763: Highly chiral muscarinic ligands: the discovery of (2S,2'R,3'S,5'R)-1-methyl-2-(2-methyl-1,3-oxathiolan-5-yl)pyrrolidine 3-sulfoxide methyl iodide, a potent, functionally selective, M2 partial agonist.

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/q28d001p
title: BindingDB Entry 50003765: Aminoalkyl phenyl sulfones--a novel series of 5-HT7 receptor ligands.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 7, Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, D(2) dopamine receptor, and Serotonin (5-HT) receptor, Uniprot A0A024R3C5, P08908, P14416, P15823, P23944, P28222, P28223, P34969, P40989, P43140, Q5ZGX3, and X5D7I5
DOI: 10.7270/q2d50qq5
title: BindingDB Entry 50003764: 6H,13H-Pyrazino[1,2-a;4,5-a']diindole analogs: probing the pharmacophore for allosteric ligands of muscarinic M2 receptors.

description: Small molecule binding data for protein Acetylcholine receptor protein alpha/beta/delta/gamma chain and Muscarinic acetylcholine receptor M2 and M5, Uniprot A4D1Q0, P02710, P02712, P02714, P02718, and P08172
DOI: 10.7270/q24q7xqb
title: BindingDB Entry 50003766: Novel potent and efficacious nonpeptidic urotensin II receptor agonists.

description: Small molecule binding data for protein Urotensin II receptor, Uniprot Q9UKP6
DOI: 10.7270/q2w66pjg
title: BindingDB Entry 50003768: 3D-QSAR studies of farnesyltransferase inhibitors: a comparative molecular field analysis approach.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot A0A384MEJ5, P49354, and P49356
DOI: 10.7270/q2rf5xs9
title: BindingDB Entry 50003769: Synthesis and activity of small molecule GPR40 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2mp561x
title: BindingDB Entry 50003770: Alpha-methylated derivatives of 2-arachidonoyl glycerol: synthesis, CB1 receptor activity, and enzymatic stability.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272
DOI: 10.7270/q2gx4f96
title: BindingDB Entry 50003771: Synthesis and pharmacological evaluation of novel 9- and 10-substituted cytisine derivatives. Nicotinic ligands of enhanced subtype selectivity.

description: Small molecule binding data for protein Neuronal acetylcholine receptor Alpha-3/Beta-4, Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Uniprot P04757, P09483, P12389, P12390, and P12392
DOI: 10.7270/q2c53pm7
title: BindingDB Entry 50003772: New ligands with affinity for the alpha4beta2 subtype of nicotinic acetylcholine receptors. Synthesis, receptor binding, and 3D-QSAR modeling.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q23r0wnd
title: BindingDB Entry 50003774: Simplified cyclic analogues of bastadin-5. Structure-activity relationships for modulation of the RyR1/FKBP12 Ca2+ channel complex.

description: Small molecule binding data for protein RyR1/FKBP12, Uniprot P21817 and P62942
DOI: 10.7270/q27h1nbp
title: BindingDB Entry 50003773: Structural studies on bioactive compounds. 40.(1) Synthesis and biological properties of fluoro-, methoxyl-, and amino-substituted 3-phenyl-4H-1-benzopyran-4-ones and a comparison of their antitumor activities with the activities of related 2-phenylbenzothiazoles.

description: Small molecule binding data for protein Cytochrome P450 1A, Uniprot A0N0X8 and P04798
DOI: 10.7270/q20004vg
title: BindingDB Entry 50003775: Synthesis and biological evaluation of 2-amino-3-(3',4',5'-trimethoxybenzoyl)-5-aryl thiophenes as a new class of potent antitubulin agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2v69nb6
title: BindingDB Entry 50003776: Docking and three-dimensional quantitative structure-activity relationship (3D QSAR) analyses of nonsteroidal progesterone receptor ligands.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2qf8wmg
title: BindingDB Entry 50003777: The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2fx7d7q
title: BindingDB Entry 50003779: Dibasic non-imidazole histamine H3 receptor antagonists with a rigid biphenyl scaffold.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3 and H4), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q2kp84w4
title: BindingDB Entry 50003778: Calcium channel antagonists discovered by a multidisciplinary approach.

description: Small molecule binding data for protein Voltage-gated L-type calcium channel, Uniprot P22002
DOI: 10.7270/q2b85bw5
title: BindingDB Entry 50003780: Synthesis and biological activity of nociceptin/orphanin FQ(1-13)NH2 analogues modified in 9 and/or 13 position.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Uniprot P35370
DOI: 10.7270/q22r3vf4
title: BindingDB Entry 50003782: Synthesis, enzymatic inhibition, and cancer cell growth inhibition of novel delta-lactam-based histone deacetylase (HDAC) 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/q26h4m69
title: BindingDB Entry 50003781: Identification of metabolites of the tryptase inhibitor CRA-9249: observation of a metabolite derived from an unexpected hydroxylation pathway.

description: Small molecule binding data for protein Tryptase delta, Uniprot Q9BZJ3
DOI: 10.7270/q2z03bxp
title: BindingDB Entry 50003783: Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of N,N'-bis[2-oxo-2H-benzopyran]-3-carboxamides.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P21398 and P56560
DOI: 10.7270/q2t72m6c
title: BindingDB Entry 50003784: The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2jq13sr
title: BindingDB Entry 50003786: [4-(imidazol-1-yl)thiazol-2-yl]phenylamines. A novel class of highly potent colchicine site binding tubulin inhibitors: synthesis and cytotoxic activity on selected human cancer cell lines.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2pg1vgn
title: BindingDB Entry 50003785: Tubulin polymerization inhibitors with a fluorinated phthalimide skeleton derived from thalidomide.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2f192gh
title: BindingDB Entry 50003787: SAR of biphenyl carboxamide ligands of the human melanin-concentrating hormone receptor 1 (MCH R1): discovery of antagonist SB-568849.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2C and Melanin-concentrating hormone receptor, Uniprot P28335 and Q99705
DOI: 10.7270/q25h7k1g
title: BindingDB Entry 50003789: Discovery of S-(2-guanidylethyl)-isothiourea (VUF 8430) as a potent nonimidazole histamine H4 receptor agonist.

description: Small molecule binding data for protein Histamine receptor (H3 and H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q29889s7
title: BindingDB Entry 50003788: Discovery of potent and stable conformationally constrained analogues of the MCH R1 antagonist SB-568849.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q21r6t89
title: BindingDB Entry 50003790: Cyclic MrIA: a stable and potent cyclic conotoxin with a novel topological fold that targets the norepinephrine transporter.

description: Small molecule binding data for protein Monoamine transporter, Uniprot A0A024R6T9 and P23975
DOI: 10.7270/q2x069s9
title: BindingDB Entry 50003791: Effects of substitution on 9-(3-bromo-4-fluorophenyl)-5,9-dihydro-3H,4H-2,6-dioxa-4- azacyclopenta[b]naphthalene-1,8-dione, a dihydropyridine ATP-sensitive potassium channel opener.

description: Small molecule binding data for protein Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2, Uniprot A0A024RAV7, O60706, and Q14654
DOI: 10.7270/q2s75k20
title: BindingDB Entry 50003792: Synthesis and radioligand binding studies of methoxylated 1,2,3,4-tetrahydroisoquinolinium derivatives as ligands of the apamin-sensitive Ca2+-activated K+ channels.

description: Small molecule binding data for protein Small conductance calcium-activated potassium channel, Uniprot P70604, P70605, and P70606
DOI: 10.7270/q2ng4td5
title: BindingDB Entry 50003793: Synthesis of highly substituted dibenzo[b,f]azocines and their evaluation as protein kinase inhibitors.

description: Small molecule binding data for protein cAMP-dependent protein kinase (PKA), Uniprot P22612
DOI: 10.7270/q2ht2s35
title: BindingDB Entry 50003794: p38 MAP kinase inhibitors. Part 5: discovery of an orally bio-available and highly efficacious compound based on the 7-amino-naphthyridone scaffold.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2d221dk
title: BindingDB Entry 50003795: Inhibitory effects of various flavonoids isolated from leaves of persimmon on angiotensin-converting enzyme activity.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P47820
DOI: 10.7270/q28918nd
title: BindingDB Entry 50003796: 9-Benzylidene-naphtho[2,3-b]thiophen-4-ones as novel antimicrotubule agents-synthesis, antiproliferative activity, and inhibition of tubulin polymerization.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q20r9s5c
title: BindingDB Entry 50003798: Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily B member 2, Uniprot Q92953
DOI: 10.7270/q24j0hw7
title: BindingDB Entry 50003797: Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase and Farnesyl diphosphate synthase, Uniprot A0A6D2XXD5, P22939, and P45568
DOI: 10.7270/q2r78j0h
title: BindingDB Entry 50003801: Isothiazoloquinolones with enhanced antistaphylococcal activities against multidrug-resistant strains: effects of structural modifications at the 6-, 7-, and 8-positions.

description: Small molecule binding data for protein DNA Gyrase, Uniprot A0A068A4Y4, P0A0K8, and P20831
DOI: 10.7270/q2w098pc
title: BindingDB Entry 50003799: Saliniketals A and B, bicyclic polyketides from the marine actinomycete Salinispora arenicola.

description: Small molecule binding data for protein Ornithine decarboxylase, Uniprot P11926
DOI: 10.7270/q2c25069
title: BindingDB Entry 50003804: Natural inhibitors targeting osteoclast-mediated bone resorption.

description: Small molecule binding data for protein Cathepsin K, ITGAV/ITGB3, and Matrix metalloproteinase 2/9, Uniprot L7RXH0, P05106, P06756, P14780, and P43235
DOI: 10.7270/q2mk6gnn
title: BindingDB Entry 50003802: Naphtho[2,3-b][1,4]-thiazine-5,10-diones and 3-substituted-1,4-dioxo-1,4-dihydronaphthalen-2-yl-thioalkanoate derivatives: synthesis and biological evaluation as potential antibacterial and antifungal agents.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137