cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2xd12md
title: BindingDB Entry 50039174: Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.

description: Small molecule binding data for protein Cell division control protein 42 homolog, Protein kinase C, epsilon, Protein kinase N2, Rho-associated protein kinase, and cGMP-dependent protein kinase 2, Uniprot O75116, P60953, Q02156, Q13237, and Q16513
DOI: 10.7270/q2z89ddt
title: BindingDB Entry 50039166: Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.

description: Small molecule binding data for protein Nicotinate-nucleotide adenylyltransferase
DOI: 10.7270/q20866c2
title: BindingDB Entry 50039977: Ureido-substituted sulfamates show potent carbonic anhydrase IX inhibitory and antiproliferative activities against breast cancer cell lines.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q20k2990
title: BindingDB Entry 50037275: Discovery of the first N-substituted 4beta-methyl-5-(3-hydroxyphenyl)morphan to possess highly potent and selective opioid delta receptor antagonist activity.

description: Small molecule binding data for protein Delta-type opioid receptor, Uniprot P41143
DOI: 10.7270/q22n534q
title: BindingDB Entry 50038252: Structure-activity studies on splitomicin derivatives as sirtuin inhibitors and computational prediction of binding mode.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6
DOI: 10.7270/q2348mds
title: BindingDB Entry 50039984: Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM and Voltage-gated potassium channel, Uniprot P11309, Q12809, Q86V86, and Q9P1W9
DOI: 10.7270/q2416z3d
title: BindingDB Entry 50039976: Synthesis, biological evaluation and molecular docking studies of 3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-phenylacrylamide derivatives as inhibitors of HDAC activity.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot Q13547 and Q92769
DOI: 10.7270/q24b3225
title: BindingDB Entry 50037274: Discovery of 2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole (ABT-724), a dopaminergic agent with a novel mode of action for the potential treatment of erectile dysfunction.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Kappa-type opioid receptor, Uniprot P08908, P14416, P21917, P30729, P35462, P41145, and P61169
DOI: 10.7270/q24t6kbx
title: BindingDB Entry 50039180: Structural determinants for the inhibitory ligands of orotidine-5'-monophosphate decarboxylase.

description: Small molecule binding data for protein Orotate phosphoribosyltransferase (HsOPRT), Orotidine Monophosphate Decarboxylase (ODCase), and Orotidine phosphate decarboxylase, Uniprot P03962 and P11172
DOI: 10.7270/q27d2w1w
title: BindingDB Entry 50038243: Discovery of novel orally active ureido NPY Y5 receptor antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 5 ( NPY Y5), and PPYR1, Uniprot P25929, P49146, P50391, and Q15761
DOI: 10.7270/q2833ss3
title: BindingDB Entry 50037273: New, non-adenosine, high-potency agonists for the human adenosine A2B receptor with an improved selectivity profile compared to the reference agonist N-ethylcarboxamidoadenosine.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q28k7b16
title: BindingDB Entry 50039179: Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Cyclooxygenase, and Cyclooxygenase-1 (COX-1), Uniprot P09917, P23219, and P35354
DOI: 10.7270/q2b56kmt
title: BindingDB Entry 50038250: Discovery of a dopamine D4 selective PET ligand candidate taking advantage of a click chemistry based REM linker.

description: Small molecule binding data for protein 5-HT2, Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, P50129, and P50130
DOI: 10.7270/q2c53mqr
title: BindingDB Entry 50038242: Design and SAR of selective T-type calcium channel antagonists containing a biaryl sulfonamide core.

description: Small molecule binding data for protein Calcium channel (Type T,L), Uniprot O95180
DOI: 10.7270/q2cj8fhp
title: BindingDB Entry 50039974: Synthesis and evaluation of novel potent HCV NS5A inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, and P11712
DOI: 10.7270/q2cv4jhh
title: BindingDB Entry 50037272: 1,2,4-triazolo[4,3-a]quinoxalin-1-one moiety as an attractive scaffold to develop new potent and selective human A3 adenosine receptor antagonists: synthesis, pharmacological, and ligand-receptor modeling studies.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P28190, P29274, and P30542
DOI: 10.7270/q2db82td
title: BindingDB Entry 50039178: Using enzyme assays to evaluate the structure and bioactivity of sponge-derived meroterpenes.

description: Small molecule binding data for protein 12-Lipoxygenase (12-LOX), 5-lipoxygenase/FLAP, and Arachidonate 15-lipoxygenase, Uniprot P09917, P16050, and P18054
DOI: 10.7270/q2fx7b9s
title: BindingDB Entry 50038249: SAR-oriented discovery of peroxisome proliferator-activated receptor pan agonist with a 4-adamantylphenyl group as a hydrophobic tail.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2gb253k
title: BindingDB Entry 50039981: Novel BACE1 inhibitors possessing a 5-nitroisophthalic scaffold at the P2 position.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2hm5977
title: BindingDB Entry 50037271: Identification, synthesis, and characterization of new glycogen phosphorylase inhibitors binding to the allosteric AMP site.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL) and Muscle glycogen phosphorylase, Uniprot P06737 and P11217
DOI: 10.7270/q2j38tjr
title: BindingDB Entry 50039177: New hydroxypyrimidinone-containing sulfonamides as carbonic anhydrase inhibitors also acting as MMP inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2kp8302
title: BindingDB Entry 50038248: Estradiol and estrone C-16 derivatives as inhibitors of type 1 17beta-hydroxysteroid dehydrogenase: blocking of ER+ breast cancer cell proliferation induced by estrone.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1), Uniprot P14061
DOI: 10.7270/q2m32wth
title: BindingDB Entry 50039980: Novel 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl)acetic acids: discovery and hit-to-lead evolution of a selective CRTh2 receptor antagonist chemotype.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G protein-coupled receptor 44, Prostanoid DP receptor, and Prostanoid TP receptor, Uniprot P08684, P10635, P11712, P21731, Q13258, and Q9Y5Y4
DOI: 10.7270/q2mc90sq
title: BindingDB Entry 50037278: Potent and selective conformationally restricted neuronal nitric oxide synthase inhibitors.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q2nc61zj
title: BindingDB Entry 50037270: Fragment-based drug discovery.

description: Small molecule binding data for protein Acetylcholinesterase, Adenosine deaminase, Adenosine kinase, Adenylosuccinate synthetase 2, Bcl-xL/BAK, Caspase-3, Collagenase, Cyclin-dependent kinase 2, Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha, Liver glycogen phosphorylase, Matrix metalloproteinase-1 (MMP1), Mitogen-activated protein kinase 10, Neuraminidase A, Protein-tyrosine phosphatase 1B, Stromelysin-1, Thymidylate Synthase (TS), Thymidylate synthase, Urokinase-type plasminogen activator, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00469, P00749, P00813, P03468, P03956, P04818, P05107, P08254, P12931, P14780, P18031, P20701, P21836, P24941, P30520, P37136, P42574, P45452, P53779, P55263, Q07817, and Q9ET01
DOI: 10.7270/q2nv9k7q
title: BindingDB Entry 50039176: Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 15, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q99N23, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2qc04ch
title: BindingDB Entry 50038247: Is adamantane a suitable substituent to pre-organize the acid orientation in E-selectin antagonists?

description: Small molecule binding data for protein Selectin E, Uniprot P16581
DOI: 10.7270/q2qv3nkc
title: BindingDB Entry 50039979: Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.

description: Small molecule binding data for protein Prothrombin, Trypsin, and Trypsin-1, Uniprot P00734, P07477, and P35030
DOI: 10.7270/q2r49rh2
title: BindingDB Entry 50037277: Conformationally constrained analogues of diacylglycerol. 20. The search for an elusive binding site on protein kinase C through relocation of the carbonyl pharmacophore along the sn-1 side chain of 1,2-diacylglycerol lactones.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2sn09x4
title: BindingDB Entry 50039175: Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P08684, P10635, P23975, P31645, P34969, Q01959, and Q12809
DOI: 10.7270/q2v40w2d
title: BindingDB Entry 50038246: 6-Acetyl-7,7-dimethyl-5,6,7,8-tetrahydropterin is an activator of nitric oxide synthases.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Uniprot P29475
DOI: 10.7270/q2vm4d93
title: BindingDB Entry 50039978: Design, synthesis and antitumor activities of novel bis-aryl ureas derivatives as Raf kinase inhibitors.

description: Small molecule binding data for protein C-RAF, Uniprot P04049
DOI: 10.7270/q2zw1msd
title: BindingDB Entry 50038245: Design and synthesis of 4-[(s-triazin-2-ylamino)methyl]-N-(2-aminophenyl)-benzamides and their analogues as a novel class of histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2057gxw
title: BindingDB Entry 50039189: Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q2154j17
title: BindingDB Entry 50039181: Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 3/NCoR1, and Vitamin D receptor, Uniprot A0A024QZ26, O15379, P11473, Q92769, and Q9UBN7
DOI: 10.7270/q23b60wx
title: BindingDB Entry 50037283: 5-Fluorinated L-lysine analogues as selective induced nitric oxide synthase inhibitors.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, inducible, and Nitric-oxide synthase (endothelial and brain), Uniprot P29475 and P35228
DOI: 10.7270/q26d5tvn
title: BindingDB Entry 50038251: Synthesis, in vitro and in vivo activity of thiamine antagonist transketolase inhibitors.

description: Small molecule binding data for protein Transketolase, Uniprot P29401 and V9HWD9
DOI: 10.7270/q26t0nq1
title: BindingDB Entry 50039983: Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: development of a highly selective and more potent in vitro probe.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Solute carrier family 12 member 2, and Solute carrier family 12 member 5, Uniprot P05177, P08684, P10635, P11712, P55011, and Q9H2X9
DOI: 10.7270/q2736rnq
title: BindingDB Entry 50037282: A selective AT2 receptor ligand with a gamma-turn-like mimetic replacing the amino acid residues 4-5 of angiotensin II.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P50052
DOI: 10.7270/q27m08xd
title: BindingDB Entry 50039187: Novel tricyclic Delta(2)-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2959jdj
title: BindingDB Entry 50038258: Tritium radiolabelling of PB28, a potent sigma-2 receptor ligand: pharmacokinetic and pharmacodynamic characterization.

description: Small molecule binding data for protein OPIATE Sigma, Uniprot Q9R0C9
DOI: 10.7270/q29k4c9c
title: BindingDB Entry 50039990: Synthesis and evaluation of in vitro bioactivity for vesicular acetylcholine transporter inhibitors containing two carbonyl groups.

description: Small molecule binding data for protein Sigma, Sigma-1 receptor, and Vesicular acetylcholine transporter, Uniprot Q16572, Q60492, and Q99720
DOI: 10.7270/q2bk1dd9
title: BindingDB Entry 50039982: Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors.

description: Small molecule binding data for protein Renin, Uniprot P00797 and Q6DLS0
DOI: 10.7270/q2bv7hc4
title: BindingDB Entry 50037281: Importance of phenolic address groups in opioid kappa receptor selective antagonists.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q2cc11n4
title: BindingDB Entry 50039186: On the inhibition of histone deacetylase 8.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2dz095z
title: BindingDB Entry 50038257: Synthesis and SAR of selective muscarinic acetylcholine receptor subtype 1 (M1 mAChR) antagonists.

description: Small molecule binding data for protein CHRM5, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M4, and Muscarinic receptor M2 and M3, Uniprot P08482, P08483, P08485, P08911, and P10980
DOI: 10.7270/q2gm882d
title: BindingDB Entry 50037280: Inhibition of adenosine deaminase by novel 5:7 fused heterocycles containing the imidazo[4,5-e][1,2,4]triazepine ring system: a structure-activity relationship study.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2h41sdx
title: BindingDB Entry 50039185: The scope of thallium nitrate oxidative cyclization of chalcones; synthesis and evaluation of isoflavone and aurone analogs for their inhibitory activity against interleukin-5.

description: Small molecule binding data for protein Interleukin-5, Uniprot P04401
DOI: 10.7270/q2jq11w8
title: BindingDB Entry 50038256: Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents.

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1 (LPAR1), Lysophosphatidic acid receptor 3 (LPAR3), and Lysophosphatidic acid receptor Edg-4, Uniprot Q92633, Q9HBW0, and Q9UBY5
DOI: 10.7270/q2k35vqk
title: BindingDB Entry 50039988: Contribution of indazolinone tautomers to kinase activity.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2kw5h0z
title: BindingDB Entry 50039192: Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating alpha-asarone-based HMG-CoA reductase inhibitors.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Uniprot Q10283
DOI: 10.7270/q2mw2j4b
title: BindingDB Entry 50039184: Inhibition of Mycobacterium tuberculosis tyrosine phosphatase PtpA by synthetic chalcones: kinetics, molecular modeling, toxicity and effect on growth.

description: Small molecule binding data for protein Probable low molecular weight protein-tyrosine-phosphatase, Protein Tyrosine Phosphatase PTPB, and Protein-tyrosine phosphatase 1B, Uniprot P18031 and P9WIA1
DOI: 10.7270/q2pg1sk5
title: BindingDB Entry 50038255: BACE-1 inhibitors part 1: identification of novel hydroxy ethylamines (HEAs).

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), and Cathepsin D, Uniprot P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2pv6mf0
title: BindingDB Entry 50039987: 'Click' synthesis of a triazole-based inhibitor of Met functions in cancer cells.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot Q75ZY9
DOI: 10.7270/q2q52qc7
title: BindingDB Entry 50037286: Synthesis of 2',5'-dideoxy-2-fluoroadenosine and 2',5'-dideoxy-2,5'-difluoroadenosine: potent P-site inhibitors of adenylyl cyclase.

description: Small molecule binding data for protein Adenylate cyclase type V, Uniprot Q04400
DOI: 10.7270/q2rn38vn
title: BindingDB Entry 50039183: Identification of new non-carboxylic acid containing inhibitors of aldose reductase.

description: Small molecule binding data for protein Aldose reductase (ALR2), Uniprot P16116
DOI: 10.7270/q2t43tz2
title: BindingDB Entry 50038254: Calcitonin gene-related peptide (CGRP) receptor antagonists: investigations of a pyridinone template.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q2tm7c65
title: BindingDB Entry 50039986: Structure-based optimization of aminopyridines as PKC¿ inhibitors.

description: Small molecule binding data for protein C-RAF, Cyclin-dependent kinase 2, Hepatocyte growth factor receptor, Lysyl-tRNA synthetase, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 3, PI3-kinase subunit alpha, PI3-kinase subunit gamma, PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, epsilon, Rho-associated protein kinase, SRC, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O60674, P04049, P05771, P06239, P06241, P07948, P08581, P17252, P24941, P27361, P35968, P36888, P42336, P43403, P48736, P53350, P53779, Q02156, Q04759, Q05655, Q08881, Q13464, and Q15046
DOI: 10.7270/q2tx3g3n
title: BindingDB Entry 50037285: Novel benzophenones as non-nucleoside reverse transcriptase inhibitors of HIV-1.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2vt1svr
title: BindingDB Entry 50037276: Synthesis, monoamine transporter binding properties, and behavioral pharmacology of a series of 3beta-(substituted phenyl)-2beta-(3'-substituted isoxazol-5-yl)tropanes.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2wd41kc
title: BindingDB Entry 50039182: Analogs of zanamivir with modified C4-substituents as the inhibitors against the group-1 neuraminidases of influenza viruses.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2xw4kn1
title: BindingDB Entry 50038253: The influence of esters and carboxylic acids as the N-substituent of opioids. Part 1: Benzomorphans.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P42866
DOI: 10.7270/q2zc83xg
title: BindingDB Entry 50039985: CCLab--a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, and Q9UBN7
DOI: 10.7270/q2zk5hf3
title: BindingDB Entry 50037284: Conformer- and alignment-independent model for predicting structurally diverse competitive CYP2C9 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Uniprot P11712
DOI: 10.7270/q21n81zg
title: BindingDB Entry 50038260: Novel 3-alkoxy-1H-pyrazolo[3,4-d]pyrimidines as EGFR and erbB2 receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2251k7h
title: BindingDB Entry 50039992: Detailed structure-activity relationship of indolecarboxamides as H4 receptor ligands.

description: Small molecule binding data for protein Histamine H4 Receptor and Histamine receptor (H4), Uniprot Q91ZY2 and Q9H3N8
DOI: 10.7270/q22b8zsm
title: BindingDB Entry 50037291: Design, synthesis, and biological evaluation of new 8-heterocyclic xanthine derivatives as highly potent and selective human A2B adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q22z16hg
title: BindingDB Entry 50039197: Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A, and Macrophage colony stimulating factor receptor, Uniprot P07333, P08684, and P11712
DOI: 10.7270/q23x87mv
title: BindingDB Entry 50039188: Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145