cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2cj8f90
title: BindingDB Entry 50038148: Design and synthesis of novel potent and selective integrin alphanubeta3 antagonists--novel synthetic routes to isoquinolinone, benzoxazinone, and quinazolinone acetates.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q2d21znh
title: BindingDB Entry 50039881: Potent CXCR4 antagonists containing amidine type Peptide bond isosteres.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2gb24wg
title: BindingDB Entry 50038155: Imidazo[4,5-c]quinolines as inhibitors of the PI3K/PKB-pathway.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, O15530, P31749, P42336, P42338, and P48736
DOI: 10.7270/q2h9961q
title: BindingDB Entry 50038147: Discovery of a series of aminopiperidines as novel iNOS 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/q2jw8fm1
title: BindingDB Entry 50037198: Peptide science: exploring the use of chemical principles and interdisciplinary collaboration for understanding life processes.

description: Small molecule binding data for protein Cholecystokinin receptor, Delta-type opioid receptor, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocyte-stimulating hormone receptor, Mu-type opioid receptor, Opioid receptors; mu & delta, Oxytocin receptor, and mu/kappa opioid receptor, Uniprot P30559, P32238, P32239, P32245, P32300, P33533, P35372, P41143, P41968, P97266, and Q01726
DOI: 10.7270/q2m32wmt
title: BindingDB Entry 50038154: Histone deacetylase inhibitors: from bench to clinic.

description: Small molecule binding data for protein Cytochrome P450 3A, Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O09106, O15379, P08684, P56524, Q13547, Q8WUI4, Q92769, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2mg7qf6
title: BindingDB Entry 50039065: Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: 1,3,4-Thiadiazolylmethylphenyl glucoside congeners.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q2ng4rng
title: BindingDB Entry 50039879: Discovery of a potent inhibitor of anaplastic lymphoma kinase with in vivo antitumor activity.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and Insulin receptor, Uniprot P06213 and Q9UM73
DOI: 10.7270/q2pk0gw4
title: BindingDB Entry 50037197: The role of the side chain in determining relative delta- and kappa-affinity in C5'-substituted analogues of naltrindole.

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/q2q81f13
title: BindingDB Entry 50039072: Design, synthesis and biological evaluation of 6-(benzyloxy)-4-methylquinolin-2(1H)-one derivatives as PDE3 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3) and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot Q13370 and Q14432
DOI: 10.7270/q2qv3ncp
title: BindingDB Entry 50038153: Optimization of alpha-ketooxazole inhibitors of fatty acid amide hydrolase.

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT), Anandamide amidohydrolase, Fatty-acid amide hydrolase 1 (FAAH), and Neutral cholesterol ester hydrolase 1, Uniprot O00519, P23141, P97612, and Q6PIU2
DOI: 10.7270/q2r78g5x
title: BindingDB Entry 50039064: Acetylcholinesterase inhibitors from the toadstool Cortinarius infractus.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P23795 and P81908
DOI: 10.7270/q2r78g7t
title: BindingDB Entry 50039886: Design, synthesis, and biological evaluation of chromone-based p38 MAP kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2tb17mv
title: BindingDB Entry 50037196: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, ADRA1B, Alpha-1D adrenergic receptor, Cerebral cortex alpha adrenergic receptor, DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Dopamine receptors; D2 & D4, Serotonin (5-HT) receptor, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08908, P08909, P14842, P18130, P18841, P18901, P21917, P23944, P28222, P28335, P35462, and P61169
DOI: 10.7270/q2v125rd
title: BindingDB Entry 50039071: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase.

description: Small molecule binding data for protein Cell division control protein 42 homolog, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Mitogen-activated protein kinase kinase kinase 11, Protein kinase C delta type, Protein kinase C, epsilon, Protein kinase N2, Rho-associated protein kinase, SRC, Serine/threonine-protein kinase MST4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ITK/TSK, Vascular endothelial growth factor receptor, and cGMP-dependent protein kinase, Uniprot L7RSL3, O75116, P05177, P07948, P08684, P10635, P11712, P17948, P33261, P53350, P60953, Q02156, Q05397, Q05655, Q08881, Q13464, Q13976, Q16513, Q16584, Q9P1W9, and Q9P289
DOI: 10.7270/q2vm4d4v
title: BindingDB Entry 50038152: In vitro SAR of pyrrolidine-containing histamine H3 receptor antagonists: trends across multiple chemical series.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 Receptor, Histamine H3 receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P25021, P35367, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2w096z4
title: BindingDB Entry 50039885: Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Smoothened homolog, Uniprot P05177, P08684, P10632, P10635, P11712, P33261, and P56726
DOI: 10.7270/q2z320c1
title: BindingDB Entry 50037195: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 4 (5-HT4), Adrenergic receptor alpha-2, Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), and Sodium-dependent noradrenaline transporter, Uniprot P08908, P08913, P14842, P15823, P18825, P19328, P23975, P28221, P28222, P28223, P28335, P31645, P34969, P41595, P43140, P46098, P47898, P50406, Q13639, and Q4W594
DOI: 10.7270/q2zs2xgf
title: BindingDB Entry 50039070: Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q21v5fps
title: BindingDB Entry 50037202: Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

description: Small molecule binding data for protein Dopamine receptor, Uniprot P35462
DOI: 10.7270/q2251k1t
title: BindingDB Entry 50038166: Synthesis and structure-activity relationships of N-(3-phenylpropyl)-N'-benzylpiperazines: Potent ligands for sigma1 and sigma2 receptors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine receptor D2L/neurotensin receptor NTS1, and Sigma-1 receptor, Uniprot P08908, P14416, and Q60492
DOI: 10.7270/q22j6ctb
title: BindingDB Entry 50039077: Synthesis and SAR of novel imidazoles as potent and selective cannabinoid CB2 receptor antagonists with high binding efficiencies.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2348m63
title: BindingDB Entry 50038158: Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFkappaB activity within two separate high-throughput screens of NFkappaB activation.

description: Small molecule binding data for protein I-kappa-B-alpha and Nuclear factor NF-kappa-B, Uniprot P25963 and Q04206
DOI: 10.7270/q23j3f0k
title: BindingDB Entry 50039891: Lead optimization of 17ß-HSD1 inhibitors of the (hydroxyphenyl)naphthol sulfonamide type for the treatment of endometriosis.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q25m66fz
title: BindingDB Entry 50037201: SAR analysis of adenosine diphosphate (hydroxymethyl)pyrrolidinediol inhibition of poly(ADP-ribose) glycohydrolase.

description: Small molecule binding data for protein Poly [ADP-ribose] glycohydrolase, Uniprot O02776
DOI: 10.7270/q26974j2
title: BindingDB Entry 50039076: Identification and characterisation of 2-aminopyridine inhibitors of checkpoint kinase 2.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1 and Serine/threonine-protein kinase Chk2, Uniprot O14757 and O96017
DOI: 10.7270/q26t0nhb
title: BindingDB Entry 50038157: Toward a structure-based model of salvinorin A recognition of the kappa-opioid receptor.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptor, Uniprot P32300, P33535, and P34975
DOI: 10.7270/q27945qw
title: BindingDB Entry 50039890: 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia.

description: Small molecule binding data for protein Calcium channel (Type L), Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Egl nine homolog 1, Egl nine homolog 3, Hypoxia-inducible factor prolyl hydroxylase 1, Pregnane X receptor (PXR), and Voltage-gated potassium channel, Uniprot O75469, P08684, P10635, P11712, Q12809, Q13936, Q96KS0, Q9GZT9, and Q9H6Z9
DOI: 10.7270/q29c6z59
title: BindingDB Entry 50037200: A specific mechanism of nonspecific inhibition.

description: Small molecule binding data for protein Beta-lactamase (TEM-1) and Beta-lactamase AmpC, Uniprot P00811 and P62593
DOI: 10.7270/q2b27w7z
title: BindingDB Entry 50039075: Diaryl piperidines as CB1 receptor antagonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2f47pwm
title: BindingDB Entry 50037199: Discovery, characterization, and structure-activity relationships studies of proapoptotic polyphenols targeting B-cell lymphocyte/leukemia-2 proteins.

description: Small molecule binding data for protein Bcl-xL/BAK, Uniprot Q07817
DOI: 10.7270/q2fb53sj
title: BindingDB Entry 50038163: 4-Aminopyrimidine tetrahydronaphthols: a series of novel vanilloid receptor-1 antagonists with improved solubility properties.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q2fq9xk3
title: BindingDB Entry 50039074: Synthesis, characterization and antiglaucoma activity of a novel proton transfer compound and a mixed-ligand Zn(II) complex.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2gt5p63
title: BindingDB Entry 50039888: 1,4-dioxane, a suitable scaffold for the development of novel M3 muscarinic receptor antagonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2jh3n50
title: BindingDB Entry 50039081: New iodinated quinoline-2-carboxamides for SPECT imaging of the translocator protein.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q2k35vgf
title: BindingDB Entry 50038162: 2,6-Diaryl-4-phenacylaminopyrimidines as potent and selective adenosine A(2A) antagonists with reduced hERG liability.

description: Small molecule binding data for protein Adenosine receptor A2a, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P10635, P29274, and Q12809
DOI: 10.7270/q2kh0p8x
title: BindingDB Entry 50039073: A diazirine-based photoaffinity etoposide probe for labeling topoisomerase II.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2kk9ctg
title: BindingDB Entry 50039895: Discovery of ((S)-5-(methoxymethyl)-7-(1-methyl-1H-indol-2-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)((S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl)methanone as a potent and selective I(Kur) inhibitor.

description: Small molecule binding data for protein Voltage-gated potassium channel and Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460, Q12809, and Q9UK17
DOI: 10.7270/q2mg7qjj
title: BindingDB Entry 50039887: N-4-t-Butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamide TRPV1 antagonists: Structure-activity relationships in the A-region.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q2p84cvv
title: BindingDB Entry 50039080: Inhibition of IKK-beta: a new development in the mechanism of the anti-obesity effects of PTP1B inhibitors SA18 and SA32.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2pv6m6v
title: BindingDB Entry 50038161: BACE1 inhibitors: optimization by replacing the P1' residue with non-acidic moiety.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2q81f4f
title: BindingDB Entry 50039894: Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Dual specificity protein kinase TTK, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase D2 (PKD2), Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ABL1, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O14965, O96017, P00519, P06239, P06241, P07948, P08581, P12931, P24941, P33981, P49841, P51955, P53350, and Q9BZL6
DOI: 10.7270/q2sb46gg
title: BindingDB Entry 50037204: Generation of predictive pharmacophore models for CCR5 antagonists: study with piperidine- and piperazine-based compounds as a new class of HIV-1 entry inhibitors.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2t154kk
title: BindingDB Entry 50039079: Synthesis of dihydrofuroaporphine derivatives: identification of a potent and selective serotonin 5-HT 1A receptor agonist.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, and P21728
DOI: 10.7270/q2tm7bzm
title: BindingDB Entry 50038160: Synthesis and biological activity of novel peptide mimetics as melanocortin receptor agonists.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P41968, and Q01726
DOI: 10.7270/q2v125t9
title: BindingDB Entry 50039893: 3,5-Diaryl-2-aminopyridines as a novel class of orally active antimalarials demonstrating single dose cure in mice and clinical candidate potential.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2xs5wb2
title: BindingDB Entry 50039078: Lobeline esters as novel ligands for neuronal nicotinic acetylcholine receptors and neurotransmitter transporters.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Sodium-dependent serotonin transporter, Synaptic vesicular amine transporter, and Vesicular monoamine transporter 2 (VMAT2), Uniprot P23977, P31652, Q01827, and Q05940
DOI: 10.7270/q2zc83qs
title: BindingDB Entry 50038159: Discovery of sulfonylalkylamides: A new class of orally active factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasminogen, Prothrombin, and Tissue-type plasminogen activator, Uniprot P00734, P00742, P00747, and P00750
DOI: 10.7270/q2zs2xjb
title: BindingDB Entry 50039892: Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new chemically diverse family of compounds.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), Phosphodiesterase 7, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q07343, Q08499, Q13946, and Q14432
DOI: 10.7270/q20v8dhz
title: BindingDB Entry 50037210: Design, synthesis, and biological evaluation of 6-substituted-3-(4-methanesulfonylphenyl)-4-phenylpyran-2-ones: a novel class of diarylheterocyclic selective cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase-2 and Prostaglandin G/H synthase (cyclooxygenase), Uniprot O62698 and P05979
DOI: 10.7270/q2154hxg
title: BindingDB Entry 50038174: Omega-(2-Naphthyloxy) amino alkanes as a novel class of anti-hyperglycemic and lipid lowering agents.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q21j9bqd
title: BindingDB Entry 50039085: Novel, broad-spectrum anticonvulsants containing a sulfamide group: advancement of N-((benzo[b]thien-3-yl)methyl)sulfamide (JNJ-26990990) into human clinical studies.

description: Small molecule binding data for protein Calcium channel (Type N), Carbonic anhydrase, Carbonic anhydrase 2, and Sodium channel protein type II alpha subunit, Uniprot P00915, P00918, P04775, and Q02294
DOI: 10.7270/q22j6cw7
title: BindingDB Entry 50039899: Evaluation of synthetic acridones and 4-quinolinones as potent inhibitors of cathepsins L and V.

description: Small molecule binding data for protein Cathepsin L1 and Cathepsin V, Uniprot O60911 and P07711
DOI: 10.7270/q24m9584
title: BindingDB Entry 50037209: Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists.

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P29274
DOI: 10.7270/q25b03fp
title: BindingDB Entry 50039084: 2,4-Diamino-5-methyl-6-substituted arylthio-furo[2,3-d]pyrimidines as novel classical and nonclassical antifolates as potential dual thymidylate synthase and dihydrofolate reductase inhibitors.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, Dihydrofolate reductase (DHFR), and Thymidylate synthase, Uniprot P00374, P04818, P16184, Q07422, and Q920D2
DOI: 10.7270/q25x29rt
title: BindingDB Entry 50038165: Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors.

description: Small molecule binding data for protein JAK3/JAK1, Prostaglandin E synthase 2, Thromboxane A2 Synthase (P450 TxA2), and Tyrosine-protein kinase JAK2, Uniprot O60674, P24557, P52333, and Q9H7Z7
DOI: 10.7270/q26974mz
title: BindingDB Entry 50039898: Preclinical metabolism of LB42908, a novel farnesyl transferase inhibitor, and its effects on the cytochrome P450 isozyme activities.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q28c9x0g
title: BindingDB Entry 50037208: Discovery of (aryloxopropenyl)pyrrolyl hydroxyamides as selective inhibitors of class IIa histone deacetylase homologue HD1-A.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 4, and Histone deacetylase HD2, Uniprot A0A024QZ26, P56524, Q13547, Q94F81, and Q9UBN7
DOI: 10.7270/q2930v4k
title: BindingDB Entry 50039083: Structural diversity of nucleoside phosphonic acids as a key factor in the discovery of potent inhibitors of rat T-cell lymphoma thymidine phosphorylase.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP) and Thymidine phosphorylase, Uniprot P19971 and Q5FVR2
DOI: 10.7270/q2930v6g
title: BindingDB Entry 50039905: New chromene scaffolds for adenosine A(2A) receptors: synthesis, pharmacology and structure-activity relationships.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A2b, Uniprot P29274, P29275, and P30542
DOI: 10.7270/q29k4c3p
title: BindingDB Entry 50038164: Discovery of subnanomolar arginine-glycine-aspartate-based alphaVbeta3/alphaVbeta5 integrin binders embedding 4-aminoproline residues.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin beta-3/Vitronectin receptor alpha, and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08648, and P18084
DOI: 10.7270/q2b27wb9
title: BindingDB Entry 50039897: Discovery and optimization of 2,4-diaminoquinazoline derivatives as a new class of potent dengue virus inhibitors.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2cv4jq6
title: BindingDB Entry 50039090: Pyridine analogues of nimesulide: design, synthesis, and in vitro and in vivo pharmacological evaluation as promising cyclooxygenase 1 and 2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2d50nqb
title: BindingDB Entry 50037207: Inhibition of human immunodeficiency virus reverse transcriptase by synadenol triphosphate and its E-isomer.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase