cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2862htw
title: BindingDB Entry 50042823: Novel inhibitors of bacterial virulence: development of 5,6-dihydrobenzo[h]quinazolin-4(3H)-ones for the inhibition of group A streptococcal streptokinase expression.

description: Small molecule binding data for protein Streptokinase, Uniprot P96471
DOI: 10.7270/q28c9xvp
title: BindingDB Entry 50044940: Discovery of novel tetrahydroisoquinoline derivatives as orally active N-type calcium channel blockers with high selectivity for hERG potassium channels.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Voltage-gated potassium channel, Uniprot P05177, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q29s1sf2
title: BindingDB Entry 50043287: 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2bv7j9n
title: BindingDB Entry 50045398: Synthesis and biological evaluation of isoindoloisoquinolinone, pyroloisoquinolinone and benzoquinazolinone derivatives as poly(ADP-ribose) polymerase-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2cf9rkn
title: BindingDB Entry 50043898: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2cv4k8s
title: BindingDB Entry 50044403: Discovery of novel 2-((pyridin-3-yloxy)methyl)piperazines asa7 nicotinic acetylcholine receptor modulators for the treatment of inflammatory disorders.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-7 subunit, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P17787, P33261, P36544, P43681, Q05941, and Q12809
DOI: 10.7270/q2cz38j9
title: BindingDB Entry 50042822: Selective aminopeptidase-N (CD13) inhibitors with relevance to cancer chemotherapy.

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15144, P15145, and P97449
DOI: 10.7270/q2d50pjh
title: BindingDB Entry 50044939: An efficient synthesis and biological screening of benzofuran and benzo[d]isothiazole derivatives for Mycobacterium tuberculosis DNA GyrB inhibition.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P0C559
DOI: 10.7270/q2ff3tsh
title: BindingDB Entry 50043286: Evaluation of novel aryloxyalkyl derivatives of imidazole and 1,2,4-triazole as heme oxygenase-1 (HO-1) inhibitors and their antitumor properties.

description: Small molecule binding data for protein Heme Oxygenase 1 (HO-1) and Heme Oxygenase 2 (HO-2), Uniprot P06762 and P23711
DOI: 10.7270/q2g73g60
title: BindingDB Entry 50043905: Toxicological and pharmacological evaluation, antioxidant, ADMET and molecular modeling of selected racemic chromenotacrines {11-amino-12-aryl-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-ols} for the potential prevention and treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2h70h9x
title: BindingDB Entry 50043897: Insights on pregnane-X-receptor modulation. Natural and semisynthetic steroids from Theonella marine sponges.

description: Small molecule binding data for protein Pregnane X receptor (PXR), Uniprot O75469
DOI: 10.7270/q2hm5b0h
title: BindingDB Entry 50044402: Design, synthesis, and biological evaluation of O-2-modified indenoisoquinolines as dual topoisomerase I-tyrosyl-DNA phosphodiesterase I inhibitors.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q2hq419g
title: BindingDB Entry 50042821: Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches.

description: Small molecule binding data for protein Heparanase, Uniprot Q9Y251
DOI: 10.7270/q2r2132n
title: BindingDB Entry 50045395: Design and synthesis of novel 2-pyrazoline-1-ethanone derivatives as selective MAO inhibitors.

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/q2s46tjh
title: BindingDB Entry 50044400: New 2H-chromene-3-carboxamide derivatives: design, synthesis and use as inhibitors of hMAO.

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/q2s75hp7
title: BindingDB Entry 50042819: Investigation ofs receptors agonist/antagonist activity through N-(6-methoxytetralin-1-yl)- and N-(6-methoxynaphthalen-1-yl)alkyl derivatives of polymethylpiperidines.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2vh5qbm
title: BindingDB Entry 50043902: Synthesis and in vitro urease inhibitory activity of N,N'-disubstituted thioureas.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2vx0j3n
title: BindingDB Entry 50044407: Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I).

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q2ww7k27
title: BindingDB Entry 50042818: Synthesis and evaluation of methylsulfonylnitrobenzamides (MSNBAs) as inhibitors of the thyroid hormone receptor-coactivator interaction.

description: Small molecule binding data for protein Thyroid Hormone Receptor (TR-beta), Thyroid hormone receptor, and Vitamin D receptor, Uniprot F1D8N7, P10827, P10828, and P11473
DOI: 10.7270/q20r9qr5
title: BindingDB Entry 50042825: Discovery of biological evaluation of pyrazole/imidazole amides as mGlu5 receptor negative allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q2319xcd
title: BindingDB Entry 50043908: Switching cannabinoid response from CB(2) agonists to FAAH inhibitors.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q23n250x
title: BindingDB Entry 50044949: (R)-3-amino-1-((3aS,7aS)-octahydro-1H-indol-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one derivatives as potent inhibitors of dipeptidyl peptidase-4: design, synthesis, biological evaluation, and molecular modeling.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Fibroblast activation protein alpha, Uniprot P27487, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q24f1s41
title: BindingDB Entry 50042824: Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1 (DNMT1), Histone H3-K79 methyltransferase (DOT1L), Nicotinamide N-methyltransferase (NNMT), Protein arginine methyltransferase 3 (PRMT3), and Protein arginine methyltransferase 5 (PRMT5), Uniprot O14744, P26358, P40261, Q6FH49, and Q8TEK3
DOI: 10.7270/q25140nj
title: BindingDB Entry 50043296: Selective orexin receptor antagonists.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q26q1zrj
title: BindingDB Entry 50043907: Synthesis, biological evaluation, hydration site thermodynamics, and chemical reactivity analysis ofa-keto substituted peptidomimetics for the inhibition of Plasmodium falciparum.

description: Small molecule binding data for protein Cysteine protease falcipain-2 and Cysteine protease falcipain-3
DOI: 10.7270/q29w0h5t
title: BindingDB Entry 50045406: Two new protein tyrosine phosphatase 1B inhibitors, hyattellactones A and B, from the Indonesian marine sponge Hyattella sp.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2bg2qg8
title: BindingDB Entry 50043906: 3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitor.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q2bv7j5v
title: BindingDB Entry 50044411: Tranylcypromine substituted cis-hydroxycyclobutylnaphthamides as potent and selective dopamine D3 receptor antagonists.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P19020, and P35462
DOI: 10.7270/q2c53ng1
title: BindingDB Entry 50044947: Design, synthesis and biological evaluation of FLT3 covalent inhibitors with a resorcylic acid core.

description: Small molecule binding data for protein Tyrosine-protein kinase receptor FLT3, Uniprot P36888
DOI: 10.7270/q2gm88vq
title: BindingDB Entry 50044410: Synthesis of novel 2-mercaptobenzoxazole based 1,2,3-triazoles as inhibitors of proinflammatory cytokines and suppressors of COX-2 gene expression.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2gq704n
title: BindingDB Entry 50042829: Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 9, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Protein kinase C alpha type, Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), Ribosomal protein S6 kinase (P70S6K), Ribosomal protein S6 kinase alpha 3, Ribosomal protein S6 kinase alpha 5, SRC, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O75582, P00519, P06239, P07948, P08581, P09619, P10721, P11309, P11362, P12931, P16234, P17252, P22607, P23443, P27361, P31749, P35968, P45984, P49841, P51812, Q15118, Q16539, and Q96GD4
DOI: 10.7270/q2gx4d50
title: BindingDB Entry 50044946: Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles.

description: Small molecule binding data for protein Nonstructural protein NS3-4A
DOI: 10.7270/q2j67jbd
title: BindingDB Entry 50043293: Design and synthesis of bicyclic heterocycles as potent¿-secretase modulators.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11712, and P33261
DOI: 10.7270/q2kd20mv
title: BindingDB Entry 50045404: Discovery of piperidine ethers as selective orexin receptor antagonists (SORAs) inspired by filorexant.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Orexin receptor 1, and Orexin receptor 2, Uniprot O43613, O43614, P08684, P10635, P11712, and S4X0W3
DOI: 10.7270/q2m046x9
title: BindingDB Entry 50043904: Lipoxygenase inhibitors derived from marine macroalgae.

description: Small molecule binding data for protein Seed linoleate 9S-lipoxygenase, Uniprot P24095
DOI: 10.7270/q2mc91kf
title: BindingDB Entry 50044409: Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations.

description: Small molecule binding data for protein Butyrylcholinesterase (BuChE), Uniprot P81908
DOI: 10.7270/q2mg7qw1
title: BindingDB Entry 50042828: Novel antiobesity agents: synthesis and pharmacological evaluation of analogues of Rimonabant and of LH21.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2mk6fhf
title: BindingDB Entry 50044945: Structural modifications of coumarin derivatives: Determination of antioxidant and lipoxygenase (LOX) inhibitory activity.

description: Small molecule binding data for protein Lipoxygenase
DOI: 10.7270/q2nz891c
title: BindingDB Entry 50043292: Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports.

description: Small molecule binding data for protein Betaine transporter, GABA transporter 1, GABA transporter 2, and GABA transporter 3, Uniprot P30531, P48065, P48066, and Q9NSD5
DOI: 10.7270/q2pr7xgh
title: BindingDB Entry 50043911: 2-[N-Alkyl(R-phenyl)-aminomethyl]-3-phenyl-7-trifluoromethylquinoxalines as anticancer agents inhibitors of folate enzymes.

description: Small molecule binding data for protein Dihydrofolate reductase and Thymidylate synthase, Uniprot P00374 and P04818
DOI: 10.7270/q2q52r9r
title: BindingDB Entry 50045403: Methoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: in silico, in vitro, and in vivo studies.

description: Small molecule binding data for protein Delta-type opioid receptor and Mu-type opioid receptor, Uniprot P32300 and P42866
DOI: 10.7270/q2qr4zmw
title: BindingDB Entry 50043903: Synthesis and evaluation of new coumarin derivatives as potential atypical antipsychotics.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P31389
DOI: 10.7270/q2r49sb7
title: BindingDB Entry 50044408: Tamiphosphor monoesters as effective anti-influenza agents.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2rb766q
title: BindingDB Entry 50044944: Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.

description: Small molecule binding data for protein Phosphodiesterase 1, Phosphodiesterase 11A (PDE11A), Phosphodiesterase 3 (PDE3), Phosphodiesterase 7, Phosphodiesterase 8, Phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, Q01064, Q08499, Q13946, Q14432, Q9HCR9, and Q9Y233
DOI: 10.7270/q2sq91s4
title: BindingDB Entry 50043291: Solid phase synthesis of Smac/DIABLO-derived peptides using a 'Safety-Catch' resin: identification of potent XIAP BIR3 antagonists.

description: Small molecule binding data for protein X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170
DOI: 10.7270/q2tx3h15
title: BindingDB Entry 50045402: Insulin-mimetic selaginellins from Selaginella tamariscina with protein tyrosine phosphatase 1B (PTP1B) inhibitory activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2w09791
title: BindingDB Entry 50042826: Design, synthesis and SAR of novel glucokinase activators.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2w37xw6
title: BindingDB Entry 50044943: Synthesis and biological evaluation of novel oxindole-based RTK inhibitors as anti-cancer agents.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein and Tyrosine-protein kinase Kit (Kit), Uniprot P10721 and Q96GD4
DOI: 10.7270/q2xg9sjx
title: BindingDB Entry 50043290: Rapid modifications of N-substitution in iminosugars: development of newß-glucocerebrosidase inhibitors and pharmacological chaperones for Gaucher disease.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase), Uniprot P04062
DOI: 10.7270/q2zk5jb5
title: BindingDB Entry 50045401: Identification of indole-3-carboxylic acids as non-ATP-competitive Polo-like kinase 1 (Plk1) inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, and Serine/threonine-protein kinase PLK3, Uniprot P53350, Q9H4B4, and Q9NYY3
DOI: 10.7270/q21837xt
title: BindingDB Entry 50043297: Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q22b90qh
title: BindingDB Entry 50045408: Iminosugars as a new class of cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, and P22303
DOI: 10.7270/q23f4r6b
title: BindingDB Entry 50044413: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases.

description: Small molecule binding data for protein Butyrylcholinesterase (BuChE), Uniprot P81908
DOI: 10.7270/q23j3f9m
title: BindingDB Entry 50042832: Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2639rdd
title: BindingDB Entry 50045407: Diaminopyrimidines, diaminopyridines and diaminopyridazines as histamine H4 receptor modulators.

description: Small molecule binding data for protein Histamine receptor (H4), Uniprot Q9H3N8
DOI: 10.7270/q2736sgw
title: BindingDB Entry 50044412: Design, synthesis and in vitro and in vivo antitumour activity of 3-benzylideneindolin-2-one derivatives, a novel class of small-molecule inhibitors of the MDM2-p53 interaction.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2765gqz
title: BindingDB Entry 50042831: Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 9: Synthesis, characterization and molecular modeling of pyridinyl isosteres of N-BPE-8-CAC (1), a high affinity ligand for opioid receptors.

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/q27d2wr9
title: BindingDB Entry 50044948: Oseltamivir hydroxamate and acyl sulfonamide derivatives as influenza neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03469
DOI: 10.7270/q28s4rck
title: BindingDB Entry 50043295: 1-Hydroxypyrazole as a bioisostere of the acetic acid moiety in a series of aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q29k4cqr
title: BindingDB Entry 50043914: Monovalent mannose-based DC-SIGN antagonists: targeting the hydrophobic groove of the receptor.

description: Small molecule binding data for protein CD209 antigen, Uniprot Q9NNX6
DOI: 10.7270/q2bz67dx
title: BindingDB Entry 50042830: A one-pot domino synthesis and discovery of highly functionalized dihydrobenzo[b]thiophenes as AChE inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2dj5h2v
title: BindingDB Entry 50043294: Macamides and their synthetic analogs: evaluation of in vitro FAAH inhibition.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q2f76f2m
title: BindingDB Entry 50043913: Design, synthesis and molecular modeling of aloe-emodin derivatives as potent xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2fn17w4
title: BindingDB Entry 50045405: Insights on the role of boron containing moieties in the design of new potent and efficient agonists targeting theß2 adrenoceptor.

description: Small molecule binding data for protein Beta-2 adrenergic receptor, Uniprot Q8K4Z4
DOI: 10.7270/q2jd4zg3
title: BindingDB Entry 50045412: 6,6-Fused heterocyclic ureas as highly potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2k075rg
title: BindingDB Entry 50043912: Bis(ammonio)alkane-type agonists of muscarinic acetylcholine receptors: synthesis, in vitro functional characterization, and in vivo evaluation of their analgesic activity.

description: Small molecule binding data for protein Acetylcholine receptor protein epsilon chain and Cholinergic, muscarinic, Uniprot P06199 and P09660
DOI: 10.7270/q2kp83sc
title: BindingDB Entry 50044953: Further studies on pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as potent and selective human A1 adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2p55q6t
title: BindingDB Entry 50045411: Synthesis and pharmacological evaluation of multifunctional tacrine derivatives against several disease pathways of AD.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2q52r5z
title: BindingDB Entry 50044416: Molecular basis of the selective binding of MDMA enantiomers to the alpha4beta2 nicotinic receptor subtype: synthesis, pharmacological evaluation and mechanistic studies.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit and Sodium-dependent serotonin transporter, Uniprot P09483, P12390, and P31652
DOI: 10.7270/q2qf8vg8
title: BindingDB Entry 50044952: Discovery of potent KIFC1 inhibitors using a method of integrated high-throughput synthesis and screening.

description: Small molecule binding data for protein Kinesin-like protein KIFC1, Uniprot Q9BW19
DOI: 10.7270/q2r78gmr
title: BindingDB Entry 50042827: Discovery of potent dipeptidyl peptidase IV inhibitors through pharmacophore hybridization and hit-to-lead optimization.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2rr20n9
title: BindingDB Entry 50043299: Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents.

description: Small molecule binding data for protein Histone deacetylase 3/NCoR1, Uniprot O15379
DOI: 10.7270/q2th8p67
title: BindingDB Entry 50043910: 1-Aryl-2-((6-aryl)pyrimidin-4-yl)amino)ethanols as competitive inhibitors of fatty acid amide hydrolase.

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q2tx3gxd
title: BindingDB Entry 50044415: Further studies on ethyl 5-hydroxy-indole-3-carboxylate scaffold: design, synthesis and evaluation of 2-phenylthiomethyl-indole derivatives as efficient inhibitors of human 5-lipoxygenase.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Arachidonate 15-lipoxygenase, Uniprot P09917 and P16050