cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gh9mqd
title: BindingDB Entry 50003647: Novel hexahydrospiro[piperidine-4,1'-pyrrolo[3,4-c]pyrroles]: highly selective small-molecule nociceptin/orphanin FQ receptor agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q2736tp0
title: BindingDB Entry 50003649: N-hydroxy-3-phenyl-2-propenamides as novel inhibitors of human histone deacetylase with in vivo antitumor activity: discovery of (2E)-N-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide (NVP-LAQ824).

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/q23b62wr
title: BindingDB Entry 50003650: Potent inhibition of NTPase/helicase of the West Nile Virus by ring-expanded ("fat") nucleoside analogues.

description: Small molecule binding data for protein ATP-dependent RNA helicase SUPV3L1, mitochondrial, Uniprot Q8IYB8
DOI: 10.7270/q2zk5kdg
title: BindingDB Entry 50003651: Prazosin-related compounds. Effect of transforming the piperazinylquinazoline moiety into an aminomethyltetrahydroacridine system on the affinity for alpha1-adrenoreceptors.

description: Small molecule binding data for protein Adrenergic receptor, Uniprot B0ZBE0, P25100, P35348, and P35368
DOI: 10.7270/q2tt4tpr
title: BindingDB Entry 50003652: Design and synthesis of trans-3-(2-(4-((3-(3-(5-methyl-1,2,4-oxadiazolyl))- phenyl)carboxamido)cyclohexyl)ethyl)-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (SB-414796): a potent and selective dopamine D3 receptor antagonist.

description: Small molecule binding data for protein D(2) dopamine receptor and D(3) dopamine receptor, Uniprot A0A024R3C5, P14416, and P35462
DOI: 10.7270/q2k93b8v
title: BindingDB Entry 50003654: Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P32305
DOI: 10.7270/q2q242zq
title: BindingDB Entry 50003653: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, D(2) dopamine receptor, and Serotonin (5-HT) receptor, Uniprot A0A024R3C5, P08908, P14416, P28222, P28223, P28335, P34969, P50406, Q5ZGX3, and X5D7I5
DOI: 10.7270/q2fn18x0
title: BindingDB Entry 50003655: Synthesis and structure-activity relationships of conformationally constrained histamine H(3) receptor agonists.

description: Small molecule binding data for protein Histamine receptor (H3 and H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q2639sgq
title: BindingDB Entry 50003657: Synthesis and biological evaluation of 3-(4-substituted-phenyl)-N-hydroxy-2-propenamides, a new class of 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/q29w0j74
title: BindingDB Entry 50003656: Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 7 and Serotonin (5-HT) receptor, Uniprot P32305 and P34969
DOI: 10.7270/q22b91rc
title: BindingDB Entry 50003658: Non-peptide angiotensin II receptor antagonists: chemical feature based pharmacophore identification.

description: Small molecule binding data for protein Angiotensin II receptor (AT-1) type-1, Uniprot P25095 and P29089
DOI: 10.7270/q2xk8j83
title: BindingDB Entry 50003659: Structure-activity relationships of dimethindene derivatives as new M2-selective muscarinic receptor antagonists.

description: Small molecule binding data for protein Histamine H1 receptor, 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, P35367, and Q53XZ3
DOI: 10.7270/q2st7sjc
title: BindingDB Entry 50003660: Systematic development of high affinity bis(ammonio)alkane-type allosteric enhancers of muscarinic ligand binding.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2, Uniprot P06199
DOI: 10.7270/q2p271vs
title: BindingDB Entry 50003661: Synthesis, nicotinic acetylcholine receptor binding affinities, and molecular modeling of constrained epibatidine analogues.

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/q2jd50js
title: BindingDB Entry 50003662: Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2, Uniprot P06199
DOI: 10.7270/q28w3h29
title: BindingDB Entry 50003664: Antiestrogenically active 1,1,2-tris(4-hydroxyphenyl)alkenes without basic side chain: synthesis and biological activity.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2dn47t2
title: BindingDB Entry 50003663: Three-dimensional quantitative structure-activity relationship studies on selected MT1 and MT2 melatonin receptor ligands: requirements for subtype selectivity and intrinsic activity modulation.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2542rbw
title: BindingDB Entry 50003665: Cyclodextrin-derived diorganyl tellurides as glutathione peroxidase mimics and inhibitors of thioredoxin reductase and cancer cell growth.

description: Small molecule binding data for protein Thioredoxin reductase 3, Uniprot Q86VQ6
DOI: 10.7270/q21c20mj
title: BindingDB Entry 50003666: 5-substituted derivatives of 6-halogeno-3-((2-(S)-azetidinyl)methoxy)pyridine and 6-halogeno-3-((2-(S)-pyrrolidinyl)methoxy)pyridine with low picomolar affinity for alpha4beta2 nicotinic acetylcholine receptor and wide range of lipophilicity: potential probes for imaging with positron emission tomog

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2wm1h5q
title: BindingDB Entry 50003667: Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR.

description: Small molecule binding data for protein Corticosteroid-binding globulin, Uniprot P08185
DOI: 10.7270/q2rv0rgf
title: BindingDB Entry 50003668: Synthesis and structure-activity relationships of 3-aminobenzophenones as antimitotic agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2n58q39
title: BindingDB Entry 50003669: A bivalent ligand (KDN-21) reveals spinal delta and kappa opioid receptors are organized as heterodimers that give rise to delta(1) and kappa(2) phenotypes. Selective targeting of delta-kappa heterodimers.

description: Small molecule binding data for protein Opioid receptor, Uniprot A2AD37, P32300, P33534, P42866, and Q14AL5
DOI: 10.7270/q2cn76n7
title: BindingDB Entry 50003671: Synthesis and antibacterial activity of a novel series of potent DNA gyrase inhibitors. Pyrazole derivatives.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q2hd7zd1
title: BindingDB Entry 50003670: Synthesis and structure-activity studies on N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an imidazole-containing alpha(1A)-adrenoceptor agonist.

description: Small molecule binding data for protein Adenosine receptor A1/Alpha-2A adrenergic receptor, Adrenergic receptor alpha, Alpha adrenergic receptor 1A and 1B, Alpha adrenergic receptor 1A and 1D, Cerebral cortex alpha adrenergic receptor, and adrenergic Alpha1, Uniprot P08913, P18130, P19328, P23944, and P43140
DOI: 10.7270/q27w6fxh
title: BindingDB Entry 50003672: Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of 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/q2445q6h
title: BindingDB Entry 50003673: Design, synthesis, and evaluation of metabolism-based analogues of haloperidol incapable of forming MPP+-like species.

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot A0A024R3C5, P14416, P21917, and P35462
DOI: 10.7270/q20c4zh7
title: BindingDB Entry 50003675: Design, synthesis, and in vitro biological evaluation of small molecule inhibitors of estrogen receptor alpha coactivator binding.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2vm4g1b
title: BindingDB Entry 50003677: Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.

description: Small molecule binding data for protein Estrogen receptor beta, Uniprot Q9TU15
DOI: 10.7270/q2m61p0x
title: BindingDB Entry 50003679: Design, synthesis, and biological evaluation of doxorubicin-formaldehyde conjugates targeted to breast cancer cells.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2qz2dpg
title: BindingDB Entry 50003678: In vitro structure-activity relationship and in vivo studies for a novel class of cyclooxygenase-2 inhibitors: 5-aryl-2,2-dialkyl-4-phenyl-3(2H)furanone derivatives.

description: Small molecule binding data for protein Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437, Q05769, and Q543T1
DOI: 10.7270/q2gf0x7r
title: BindingDB Entry 50003680: Design, synthesis, and evaluation of novel thienopyrrolizinones as antitubulin agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q26w9ds4
title: BindingDB Entry 50003682: Unraveling the active conformation of urotensin II.

description: Small molecule binding data for protein Urotensin II receptor, Uniprot Q9UKP6
DOI: 10.7270/q2bp05hd
title: BindingDB Entry 50003681: 7-Alkoxy-4-phenylamino-3-quinolinecar-bonitriles as dual inhibitors of Src and Abl kinases.

description: Small molecule binding data for protein Calmodulin/Proto-oncogene tyrosine-protein kinase Src and Tyrosine-protein kinase ABL, Uniprot A0A024R8E2, P00519, P12931, and P42684
DOI: 10.7270/q2348p41
title: BindingDB Entry 50003683: NR2B-selective N-methyl-D-aspartate antagonists: synthesis and evaluation of 5-substituted benzimidazoles.

description: Small molecule binding data for protein Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor and GluN1/GluN2B NMDA receptor, Uniprot P15823, P23944, P43140, Q05586, and Q13224
DOI: 10.7270/q2tq6498
title: BindingDB Entry 50003686: Vanilloid receptor TRPV1 antagonists as the next generation of painkillers. Are we putting the cart before the horse?

description: Small molecule binding data for protein Vanilloid receptor, Uniprot Q8NER1
DOI: 10.7270/q2zc85nq
title: BindingDB Entry 50003684: Development of orally bioavailable bicyclic pyrazolones as inhibitors of tumor necrosis factor-alpha production.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2pz5cm0
title: BindingDB Entry 50003687: Solution phase parallel synthesis and evaluation of MAPK inhibitory activities of close structural analogues of a Ras pathway modulator.

description: Small molecule binding data for protein Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK), Uniprot A4QPA9, L7RRS6, P04049, and Q02750
DOI: 10.7270/q2ff3w4t
title: BindingDB Entry 50003689: Bis-quinolinium cyclophanes: toward a pharmacophore model for the blockade of apamin-sensitive SKCa channels in sympathetic neurons.

description: Small molecule binding data for protein Small conductance calcium-activated potassium channel, Uniprot P70604, P70605, and P70606
DOI: 10.7270/q2k64mv4
title: BindingDB Entry 50003688: Novel substituted 4-phenyl-[1,3]dioxanes: potent and selective orexin receptor 2 (OX(2)R) antagonists.

description: Small molecule binding data for protein Orexin receptor type 1 and Orexin receptor type 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q29p34dg
title: BindingDB Entry 50003690: Synthesis and biological evaluation of stilbene-based pure estrogen antagonists.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2280bbm
title: BindingDB Entry 50003692: Synthesis and antibacterial activity of novel 6-fluoro-1-[(1R,2S)-2-fluorocyclopropan-1-yl]-4-oxoquinoline-3-carboxylic acids bearing cyclopropane-fused 2-amino-8-azabicyclo[4.3.0]nonan-8-yl substituents at the C-7 position.

description: Small molecule binding data for protein DNA topoisomerase 4 subunit A and DNA topoisomerase II, Uniprot P11388, Q02880, and Q931S2
DOI: 10.7270/q25x2cq6
title: BindingDB Entry 50003691: Benzothiophene and naphthalene derived constrained SERMs.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2xg9twt
title: BindingDB Entry 50003693: Nocathiacin I analogues: synthesis, in vitro and in vivo biological activity of novel semi-synthetic thiazolyl peptide antibiotics.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2nz8bdq
title: BindingDB Entry 50003695: Synthetic lanostane-type triterpenoids as inhibitors of DNA topoisomerase II.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot P11388 and Q02880
DOI: 10.7270/q2sq935w
title: BindingDB Entry 50003694: SB-202742, a novel beta-lactamase inhibitor isolated from Spondias mombin.

description: Small molecule binding data for protein Bacterial beta-lactamase TEM and Beta-lactamase, Uniprot P00807, P05364, P24735, P30897, P62593, Q6SJ61, and Q7BWD2
DOI: 10.7270/q2j67kp9
title: BindingDB Entry 50003696: Discovery of non-steroidal mifepristone mimetics: pyrazoline-based PR antagonists.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2df6tzk
title: BindingDB Entry 50003697: 6-(2-Phenylethyl)nicotine: a novel nicotinic cholinergic receptor ligand.

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/q25141z0
title: BindingDB Entry 50003699: Discovery of a potent and selective 5-ht5A receptor antagonist by high-throughput chemistry.

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, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Serotonin (5-HT) receptor, and Sodium-dependent serotonin transporter, Uniprot A0A024R3C5, A4D2N2, P08908, P14416, P21917, P28221, P28222, P28223, P28335, P28566, P30939, P31645, P34969, P35368, P35462, P41595, P47898, P50406, Q5ZGX3, and X5D7I5
DOI: 10.7270/q28p639j
title: BindingDB Entry 50003698: QSAR of adenosine A3 receptor antagonist 1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives using chemometric tools.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q2183984
title: BindingDB Entry 50003700: Identification of a potent non-hydroxamate histone deacetylase inhibitor by mechanism-based drug design.

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/q2rr220m
title: BindingDB Entry 50003703: 3,4-Dihydro-2H-benzoxazinones are 5-HT(1A) receptor antagonists with potent 5-HT reuptake inhibitory activity.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Adrenergic receptor, and Sodium-dependent serotonin transporter, Uniprot P07550, P08908, P31652, Q5ZGX3, and X5DQM5
DOI: 10.7270/q2wh2sr0
title: BindingDB Entry 50003702: 3D QSAR studies on GSK-3 inhibition by aloisines.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot A0A024R0L5, P49840, P49841, and Q6FI27
DOI: 10.7270/q2n01986
title: BindingDB Entry 50003704: 1,2,4-Benzothiadiazine derivatives as alpha1 and 5-HT1A receptor ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Uniprot P08908 and Q5ZGX3
DOI: 10.7270/q2cf9svn
title: BindingDB Entry 50003707: Structure-based design of derivatives of tyropeptin A as the potent and selective inhibitors of mammalian 20S proteasome.

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/q2h70jjg
title: BindingDB Entry 50003706: The development of potent and selective bisarylmaleimide GSK3 inhibitors.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot A0A024R0L5, P49840, P49841, and Q6FI27
DOI: 10.7270/q27s7rjn
title: BindingDB Entry 50003708: Mercaptoamide-based non-hydroxamic acid type 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/q2086839
title: BindingDB Entry 50003710: Subtype selective substrates for histone deacetylases.

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/q24170v2
title: BindingDB Entry 50003709: Tricyclic alkylamides as melatonin receptor ligands with antagonist or inverse agonist activity.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2vh5rmm
title: BindingDB Entry 50003711: Synthesis and evaluation of nitrofuranylamides as novel antituberculosis agents.

description: Small molecule binding data for protein Uridine 5'-diphosphate-galactopyranose mutase (UGM), Uniprot P9WIQ1
DOI: 10.7270/q2m0486q
title: BindingDB Entry 50003713: Benzoxepin-derived estrogen receptor modulators: a novel molecular scaffold for the estrogen receptor.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2qr50w8
title: BindingDB Entry 50003712: Acyl sulfonamide anti-proliferatives: benzene substituent structure-activity relationships for a novel class of antitumor agents.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor, Uniprot L7RSL3, P17948, P35916, and P35968
DOI: 10.7270/q2g73hhf
title: BindingDB Entry 50003714: Discovery of the first potent, selective 5-hydroxytryptamine1D receptor antagonist.

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, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Serotonin (5-HT) receptor, and Sodium-dependent serotonin transporter, Uniprot A0A024R3C5, A0A2D3FAF9, A4D2N2, P07550, P08908, P14416, P21917, P28221, P28222, P28223, P28335, P28566, P30939, P31652, P34969, P35368, P35462, P41595, P47898, P50406, Q13639, Q5ZGX3, X5D7I5, and X5DQM5
DOI: 10.7270/q2bk1g4j
title: BindingDB Entry 50003715: Design of small-sized libraries by combinatorial assembly of linkers and functional groups to a given scaffold: application to the structure-based optimization of a phosphodiesterase 4 inhibitor.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot A0A140VJR0, P27815, Q07343, Q08493, Q08499, and X5DNX5
DOI: 10.7270/q2319znd
title: BindingDB Entry 50003717: Analysis of structure-activity relationships for MT2 selective antagonists by melatonin MT1 and MT2 receptor models.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2z89g5h
title: BindingDB Entry 50003718: 2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.

description: Small molecule binding data for protein Interleukin-8 receptors, CXCR1/CXCR2, Uniprot P25024, P25025, and Q53PC4
DOI: 10.7270/q2th8qfs
title: BindingDB Entry 50003719: Synthesis and radioligand binding studies of C-5- and C-8-substituted 1-(3,4-dimethoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinoliniums as SK channel blockers related to N-methyl-laudanosine and N-methyl-noscapine.

description: Small molecule binding data for protein Small conductance calcium-activated potassium channel, Uniprot P70604, P70605, and P70606
DOI: 10.7270/q2pr7zq2
title: BindingDB Entry 50003720: Ligand selectivity for the acetylcholine binding site of the rat alpha4beta2 and alpha3beta4 nicotinic subtypes investigated by molecular docking.

description: Small molecule binding data for protein Neuronal acetylcholine receptor Alpha-3/Beta-4 and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P04757, P09483, P12390, and P12392
DOI: 10.7270/q2fb55p1
title: BindingDB Entry 50003722: A molecular target for suppression of the evolution of antibiotic resistance: inhibition of the Escherichia coli RecA protein by N(6)-(1-naphthyl)-ADP.

description: Small molecule binding data for protein Protein RecA, Uniprot A0A6D2WFI8 and P0A7G6
DOI: 10.7270/q2k0771w
title: BindingDB Entry 50003721: A chiral benzoquinolizine-2-carboxylic acid arginine salt active against vancomycin-resistant Staphylococcus aureus.

description: Small molecule binding data for protein DNA gyrase, DNA gyrase subunit B, and Topoisomerase IV subunit A, Uniprot P0C1U9, P66936, and Q932M0
DOI: 10.7270/q29k4f05
title: BindingDB Entry 50003723: Structure-based optimization of phenylbutyrate-derived 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