cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2xp755v
title: BindingDB Entry 50032343: PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P05177, P08684, P10632, P10635, P11509, P20813, P33261, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2z31zxd
title: BindingDB Entry 50033154: Inhibition of the M. tuberculosis 3ß-hydroxysteroid dehydrogenase by azasteroids.

description: Small molecule binding data for protein 3 beta-hydroxysteroid dehydrogenase/Delta 5--&gt;4-isomerase, Uniprot P9WQP7
DOI: 10.7270/q20g3k86
title: BindingDB Entry 50031383: Potent and selective neuronal nitric oxide synthase inhibitors with improved cellular permeability.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, Nitric oxide synthase, brain, and Nitric-oxide synthase, brain, Uniprot P29473, P29475, P29476, and P29477
DOI: 10.7270/q21g0mgg
title: BindingDB Entry 50032350: Novel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q21v5f8d
title: BindingDB Entry 50033162: Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced PEPCK activation.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q23b605h
title: BindingDB Entry 50030411: Chloro-oxime derivatives as novel small molecule chaperone amplifiers.

description: Small molecule binding data for protein Heat shock factor protein 1, Uniprot Q00613
DOI: 10.7270/q2474b0x
title: BindingDB Entry 50031382: Synthesis and biological evaluation of [1,2,4]triazino[4,3-a] benzimidazole acetic acid derivatives as selective aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q24m94vb
title: BindingDB Entry 50033169: Antidotes to anthrax lethal factor intoxication. Part 2: structural modifications leading to improved in vivo efficacy.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q2571c7n
title: BindingDB Entry 50032349: Discovery of potent and selective histamine H3 receptor inverse agonists based on the 3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one scaffold.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine H3 receptor, and Histamine receptor (H3), Uniprot P08684, P10635, P11712, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q25h7gkd
title: BindingDB Entry 50033161: Synthesis, human monoamine oxidase inhibitory activity and molecular docking studies of 3-heteroarylcoumarin derivatives.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q27081kv
title: BindingDB Entry 50031389: Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.

description: Small molecule binding data for protein Aldehyde reductase, Uniprot P50578
DOI: 10.7270/q2736qxw
title: BindingDB Entry 50030410: Aryloxypyrazines as highly selective antagonists of Oxytocin.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor (V1a), and Vasopressin V2 receptor (V2), Uniprot P30518, P30559, and P37288
DOI: 10.7270/q2833s2p
title: BindingDB Entry 50030401: Synthesis and biological evaluation of 3,6-disubstituted [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives as a novel class of potential anti-tumor agents.

description: Small molecule binding data for protein Cyclin-dependent kinase 1 and Cyclin-dependent kinase 2, Uniprot P06493 and P24941
DOI: 10.7270/q2902418
title: BindingDB Entry 50032348: Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists.

description: Small molecule binding data for protein Adenosine receptor A2a and Adenosine receptor A3, Uniprot P0DMS8 and P29274
DOI: 10.7270/q2br8sbb
title: BindingDB Entry 50031388: Micropeptins from an Israeli fishpond water bloom of the cyanobacterium Microcystis sp.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2bv7gn9
title: BindingDB Entry 50030409: Discovery of 4-azaindoles as novel inhibitors of c-Met kinase.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2cr5th5
title: BindingDB Entry 50031380: Synthesis and inhibitory activity against human monoamine oxidase of N1-thiocarbamoyl-3,5-di(hetero)aryl-4,5-dihydro-(1H)-pyrazole derivatives.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2d21xw7
title: BindingDB Entry 50033167: Development of 2,4-diaminopyrimidine derivatives as novel SNSR4 antagonists.

description: Small molecule binding data for protein Mas-related G-protein coupled receptor member X1, Uniprot Q96LB2
DOI: 10.7270/q2gh9j4z
title: BindingDB Entry 50031387: Molassamide, a depsipeptide serine protease inhibitor from the marine cyanobacterium Dichothrix utahensis.

description: Small molecule binding data for protein Alpha-chymotrypsin and Elastase, Uniprot P00766 and P00772
DOI: 10.7270/q2gm87bk
title: BindingDB Entry 50030408: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P35367
DOI: 10.7270/q2hh6k9s
title: BindingDB Entry 50032355: 6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Dopamine receptor D2L/neurotensin receptor NTS1, Serotonin and norepinephrine transporters (SERT/NET), and Voltage-gated potassium channel, Uniprot P08908, P14416, P28223, P31645, and Q12809
DOI: 10.7270/q2ht2pmn
title: BindingDB Entry 50033166: 2-Substituted 5,6-dimethyl-3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidines: new series of highly potent and specific serotonin 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P41595, P50406, and Q12809
DOI: 10.7270/q2jh3mdq
title: BindingDB Entry 50032346: Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases.

description: Small molecule binding data for protein Cdc25C and phosphatase Cdc25, Uniprot P30304 and P30307
DOI: 10.7270/q2m908tc
title: BindingDB Entry 50031386: Dual-action lipophilic iminosugar improves glycemic control in obese rodents by reduction of visceral glycosphingolipids and buffering of carbohydrate assimilation.

description: Small molecule binding data for protein Beta-glucosidase, Ceramide glucosyltransferase, Glycogen debranching enzyme, Lactase-phlorizin hydrolase, Lysosomal alpha-glucosidase, Maltase-glucoamylase, and Sucrase-isomaltase, Uniprot O43451, P09848, P10253, P14410, P35573, Q16739, and Q9HCG7
DOI: 10.7270/q2mc9029
title: BindingDB Entry 50030407: Low molecular weight non-peptide mimics of omega-conotoxin GVIA.

description: Small molecule binding data for protein Calcium channel (Type N), Uniprot Q02294
DOI: 10.7270/q2n58mhf
title: BindingDB Entry 50031377: Tetrahydroquinoline derivatives as CRTH2 antagonists.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q2n87b1h
title: BindingDB Entry 50032353: Synthesis and SAR of 2-aryl-3-aminomethylquinolines as agonists of the bile acid receptor TGR5.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q80SS6 and Q8TDU6
DOI: 10.7270/q2nk3fbc
title: BindingDB Entry 50033165: Synthesis and pharmacological evaluation of bivalent antagonists of the nociceptin opioid receptor.

description: Small molecule binding data for protein Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41145, and P41146
DOI: 10.7270/q2qz2b31
title: BindingDB Entry 50031385: Synthesis and antiproliferative activity of 7-azaindirubin-3'-oxime, a 7-aza isostere of the natural indirubin pharmacophore.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5) and Cyclin-dependent kinase 1, Uniprot P06493 and Q00535
DOI: 10.7270/q2r49qs7
title: BindingDB Entry 50030406: Identification and characterization of a selective radioligand for melanin-concentrating hormone 1-receptor (MCH1R).

description: Small molecule binding data for protein GPR145, Melanin-concentrating hormone receptor, and Melanin-concentrating hormone receptor 1, Uniprot Q969V1 and Q99705
DOI: 10.7270/q2s182qc
title: BindingDB Entry 50032352: Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2sb4623
title: BindingDB Entry 50033164: Design, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2vq32sw
title: BindingDB Entry 50031384: 5-Substituted [1]pyrindine derivatives with antiproliferative activity.

description: Small molecule binding data for protein AKT/p21CIP1, Dual specificity phosphatase Cdc25B, and RAF serine/threonine protein kinase, Uniprot P15056, P30305, and P31749
DOI: 10.7270/q2vt1s5s
title: BindingDB Entry 50030405: The synthesis and biological evaluation of para-substituted phenolic N-alkyl carbamates as endocannabinoid hydrolyzing enzyme inhibitors.

description: Small molecule binding data for protein Anandamide amidohydrolase, Monoglyceride Lipase (MGL), and Monoglyceride lipase (MGL), Uniprot P97612, Q8R431, and Q99685
DOI: 10.7270/q2wq0411
title: BindingDB Entry 50032351: Probing the active-site requirements of human intestinal N-terminal maltase glucoamylase: the effect of replacing the sulfate moiety by a methyl ether in ponkoranol, a naturally occurringa-glucosidase inhibitor.

description: Small molecule binding data for protein Maltase-glucoamylase, Uniprot O43451
DOI: 10.7270/q2x34xs1
title: BindingDB Entry 50033163: Synthesis and biological evaluation of unsaturated keto and exomethylene D-arabinopyranonucleoside analogs: novel 5-fluorouracil analogs that target thymidylate synthase.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q20g3kcj
title: BindingDB Entry 50032359: Design, synthesis, and structure-activity relationships of novel bicyclic azole-amines as negative allosteric modulators of metabotropic glutamate receptor 5.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q20v8d41
title: BindingDB Entry 50033170: Synthesis and evaluation of bibenzyl glycosides as potent tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot P14679
DOI: 10.7270/q22807q9
title: BindingDB Entry 50031400: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif.

description: Small molecule binding data for protein Cathepsin G, Chymase, Coagulation factor VII, Coagulation factor X/antithrombin III, Leukocyte elastase, Plasminogen, Prothrombin, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00734, P00742, P00747, P00749, P00750, P08246, P08311, P08709, and P23946
DOI: 10.7270/q22f7ngh
title: BindingDB Entry 50030420: Discovery, characterization and comparison of inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicases.

description: Small molecule binding data for protein DnaC helicase
DOI: 10.7270/q22j6c85
title: BindingDB Entry 50034043: Asymmetric synthesis and biological evaluation of N-cyclohexyl-4-[1-(2,4-dichlorophenyl)-1-(p-tolyl)methyl]piperazine-1-carboxamide as hCB1 receptor antagonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q23778v4
title: BindingDB Entry 50031390: Synthesis and investigation of inhibition effect of fluorinated sulfonamide derivatives on carbonic anhydrase.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2474b2t
title: BindingDB Entry 50032358: Analogues of morphanthridine and the tear gas dibenz[b,f][1,4]oxazepine (CR) as extremely potent activators of the human transient receptor potential ankyrin 1 (TRPA1) channel.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q26110f1
title: BindingDB Entry 50031399: Potent inhibitor scaffold against Trypanosoma cruzi trans-sialidase.

description: Small molecule binding data for protein Sialidase 2, Uniprot Q9Y3R4
DOI: 10.7270/q2639psh
title: BindingDB Entry 50030419: Synthesis and biological activities of aminopyrimidyl-indoles structurally related to meridianins.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, and ERK-2, Uniprot P63086, Q00535, and Q63470
DOI: 10.7270/q27d2vfv
title: BindingDB Entry 50033178: Identification and evaluation of soft coral diterpenes as inhibitors of HIF-2a induced gene expression.

description: Small molecule binding data for protein endothelial PAS domain-containing protein 1, Uniprot Q99814
DOI: 10.7270/q28052tk
title: BindingDB Entry 50032357: 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2.

description: Small molecule binding data for protein Aldose reductase (AR) and Sorbitol dehydrogenase, Uniprot P15121 and Q00796
DOI: 10.7270/q2891659
title: BindingDB Entry 50033168: Synthesis and biological evaluation of indazole derivatives.

description: Small molecule binding data for protein Nitric-oxide synthase, brain, Uniprot P29476
DOI: 10.7270/q29s1r52
title: BindingDB Entry 50031396: Synthesis and biological evaluation of triazol-4-ylphenyl-bearing histone deacetylase inhibitors as anticancer agents.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q29w0fhg
title: BindingDB Entry 50030418: Synthesis and pharmacological evaluation of 1,2,3,4-tetrahydropyrazino[1,2-a]indole and 2-[(phenylmethylamino)methyl]-1H-indole analogues as novel melatoninergic ligands.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2br8sd7
title: BindingDB Entry 50032364: Synthesis, structure-affinity relationships, and radiolabeling of selective high-affinity 5-HT4 receptor ligands as prospective imaging probes for positron emission tomography.

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 alpha1B, Adrenergic receptor beta, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, DOPAMINE, Delta-type opioid receptor, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine D5 receptor, Dopamine receptor, HRH3, HTR4, Histamine H1 receptor, Histamine H2 receptor, Histamine H4 receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, OPIATE Sigma, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot O70528, P08172, P08173, P08908, P08912, P08913, P10608, P11229, P18089, P18090, P18825, P18901, P19020, P20309, P21918, P23975, P25100, P26255, P28221, P28222, P28223, P28335, P28566, P30729, P31389, P31645, P34969, P35348, P35368, P35372, P41143, P41145, P41595, P46098, P47747, P47898, P50406, P61169, Q01959, Q13639, Q4W594, Q9JI35, and Q9R0C9
DOI: 10.7270/q2c24wrv
title: BindingDB Entry 50033177: Impact of aryloxy-linked quinazolines: a novel series of selective VEGFR-2 receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P00533 and P35968
DOI: 10.7270/q2cr5tk2
title: BindingDB Entry 50032356: Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators.

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/q2fj2gxt
title: BindingDB Entry 50031395: Discovery of (thienopyrimidin-2-yl)aminopyrimidines as potent, selective, and orally available pan-PI3-kinase and dual pan-PI3-kinase/mTOR inhibitors for the treatment of cancer.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 9 (MLK1), PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase mTOR, and Tyrosine-protein kinase SYK, Uniprot O00329, O14965, P42336, P42338, P42345, P43405, P48736, and P80192
DOI: 10.7270/q2fn1676
title: BindingDB Entry 50030417: 6-Amino-2-mercapto-3H-pyrimidin-4-one derivatives as new candidates for the antagonism at the P2Y12 receptors.

description: Small molecule binding data for protein Purinergic receptor P2Y12, Uniprot Q9H244
DOI: 10.7270/q2fq9x1x
title: BindingDB Entry 50034040: Design, synthesis, and biological evaluation of benzodiazepine-based SUMO-specific protease 1 inhibitors.

description: Small molecule binding data for protein Sentrin-specific protease 1 (SENP1), Uniprot Q9P0U3
DOI: 10.7270/q2gh9j6v
title: BindingDB Entry 50032363: 1-Aryl-3-(1-acylpiperidin-4-yl)urea inhibitors of human and murine soluble epoxide hydrolase: structure-activity relationships, pharmacokinetics, and reduction of inflammatory pain.

description: Small molecule binding data for protein Epoxide hydratase and Soluble epoxide hydrolase (sEH), Uniprot P34913 and P34914
DOI: 10.7270/q2gt5ng8
title: BindingDB Entry 50033176: Structure-activity relationship study of 2,4-diaminothiazoles as Cdk5/p25 kinase inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Cyclin-dependent kinase 2, Glycogen synthase kinase-3, and Microtubule-associated protein tau, Uniprot P19332, P24941, P49841, Q00535, and Q15078
DOI: 10.7270/q2k937p0
title: BindingDB Entry 50031394: Discovery of benzhydrylpiperazine derivatives as CB1 receptor inverse agonists via privileged structure-based approach.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2kd1xz4
title: BindingDB Entry 50030416: N-Substituted-2-alkyl- and 2-arylnorapomorphines: novel, highly active D2 agonists.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P21728 and P61169
DOI: 10.7270/q2kh0nrs
title: BindingDB Entry 50034039: Structure-activity relationship and enzyme kinetic studies on 4-aryl-1H-1,2,3-triazoles as indoleamine 2,3-dioxygenase (IDO) inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2m908xq
title: BindingDB Entry 50032362: Discovery of pyrrolopyrimidine inhibitors of Akt.

description: Small molecule binding data for protein AKT/p21CIP1, Proline-rich AKT1 substrate 1, and Serine/threonine-protein kinase AKT, Uniprot P31749, P31751, Q96B36, and Q9Y243
DOI: 10.7270/q2mk6d60
title: BindingDB Entry 50033174: Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2q240c8
title: BindingDB Entry 50031393: Design, synthesis, and biological evaluation of novel pyrimidine derivatives as CDK2 inhibitors.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1 and Epidermal growth factor receptor, Uniprot P00533, P20248, P24941, and P78396
DOI: 10.7270/q2q52ppv
title: BindingDB Entry 50030415: Synthesis and structure-activity relationships of C-glycosylated oxadiazoles as inhibitors of glycogen phosphorylase.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q2q81dhz
title: BindingDB Entry 50034038: Selectivity of 3'-O-methylponkoranol for inhibition of N- and C-terminal maltase glucoamylase and sucrase isomaltase, potential therapeutics for digestive disorders or their sequelae.

description: Small molecule binding data for protein Maltase-glucoamylase and Sucrase-isomaltase, Uniprot O43451 and P14410
DOI: 10.7270/q2r211nf
title: BindingDB Entry 50032361: Click-chemistry-derived triazole ligands of arginine-glycine-aspartate (RGD) integrins with a broad capacity to inhibit adhesion of melanoma cells and both in vitro and in vivo angiogenesis.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P06756, and P18084
DOI: 10.7270/q2rb74x9
title: BindingDB Entry 50033173: Antioxidant xanthone derivatives induce cell cycle arrest and apoptosis and enhance cell death induced by cisplatin in NTUB1 cells associated with ROS.

description: Small molecule binding data for protein Xanthine oxidase, Uniprot P47989
DOI: 10.7270/q2tq61pz
title: BindingDB Entry 50031392: Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 3'-(substituted phenyl)epibatidine analogues. Nicotinic partial agonists.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483, P12390, and Q05941
DOI: 10.7270/q2tx3fd8
title: BindingDB Entry 50030414: Human sialidase inhibitors: design, synthesis, and biological evaluation of 4-acetamido-5-acylamido-2-fluoro benzoic acids.

description: Small molecule binding data for protein Sialidase 1, Sialidase 2, Sialidase 3, and Sialidase 4, Uniprot Q8WWR8, Q99519, Q9UQ49, and Q9Y3R4