cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q26h4j0s
title: BindingDB Entry 50035710: A pyrimidine-based"flexible" bisubstrate analogue inhibitor of human thymidylate synthase.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P04818
DOI: 10.7270/q2736rdk
title: BindingDB Entry 50034870: Acetylcholinesterase inhibition by fused dihydroquinazoline compounds

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303 and P37136
DOI: 10.7270/q27h1k0c
title: BindingDB Entry 50033969: Potent and novel 11ß-HSD1 inhibitors identified from shape and docking based virtual screening.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845 and P80365
DOI: 10.7270/q28w3f3x
title: BindingDB Entry 50037526: 6-aryl-8H-indeno[1,2-d]thiazol-2-ylamines: A1 adenosine receptor agonist allosteric enhancers having improved potency.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q29c6z8n
title: BindingDB Entry 50038405: Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Fibroblast growth factor receptor 2, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor beta, SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P06239, P07333, P08684, P09619, P10635, P17948, P21802, P35916, P35968, and Q96GD4
DOI: 10.7270/q29w0g79
title: BindingDB Entry 50037517: Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4, Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-7 subunit, Neuronal acetylcholine receptor protein alpha-9 subunit, and Neuronal acetylcholine receptor protein beta-2 subunit/protein beta-3 subunit/subunit alpha-3/subunit alpha-6, Uniprot P17787, P30926, P32297, P36544, P43681, Q05901, Q05941, Q15822, Q15825, and Q9UGM1
DOI: 10.7270/q2b27vzz
title: BindingDB Entry 50036617: 6beta-Acetoxynortropane: a potent muscarinic agonist with apparent selectivity toward M2-receptors.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M4, Muscarinic receptor M2 and M3, and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P08172, P08173, P08482, P08483, P08485, P09483, P10980, P11229, P12390, and P20309
DOI: 10.7270/q2b56k9s
title: BindingDB Entry 50035709: A photoaffinity label for the D-1 dopamine receptor, (RS)-7-[125I]Iodo-8-hydroxy-3-methyl-1-(4'-azidophenyl)-2,3,4,5- tetrahydro-1H-3-benzazepine, selectively identifies the ligand binding subunits of the receptor.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P21728
DOI: 10.7270/q2c24x3r
title: BindingDB Entry 50036607: (+)-cis-N-ethyleneamino-N-normetazocine derivatives. Novel and selective sigma ligands with antagonist properties.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Muscarinic receptor M2 and M3, and Sigma, Uniprot P10980, P61169, and Q99720
DOI: 10.7270/q2c829p7
title: BindingDB Entry 50033968: Development of 2-substituted-N-(naphth-1-ylmethyl) and N-benzhydrylpyrimidin-4-amines as dual cholinesterase and Aß-aggregation inhibitors: Synthesis and biological evaluation.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P22303 and P81908
DOI: 10.7270/q2cv4j8c
title: BindingDB Entry 50034859: Liposome-like fucopeptides as sialyl lewis X mimetics

description: Small molecule binding data for protein Selectin E, Uniprot P16581
DOI: 10.7270/q2d50ntp
title: BindingDB Entry 50038412: RAS-RAF-MEK-dependent oxidative cell death involving voltage-dependent anion channels.

description: Small molecule binding data for protein Voltage-dependent anion-selective channel protein 2, Uniprot P45880
DOI: 10.7270/q2dn45t7
title: BindingDB Entry 50037525: Design and synthesis of depeptidized macrocyclic inhibitors of hepatitis C NS3-4A protease using structure-based drug design.

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A and Leukocyte elastase, Uniprot P08246 and Q4JMH3 A3EZI9
DOI: 10.7270/q2f47q0c
title: BindingDB Entry 50038404: Evaluation of a series of naphthamides as potent, orally active vascular endothelial growth factor receptor-2 tyrosine kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Hepatocyte growth factor receptor, SRC, Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase ABL1, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot L7RSL3, O14965, P00519, P06239, P07948, P08581, P09769, P17948, P35968, Q02763, and Q96GD4
DOI: 10.7270/q2ft8mqt
title: BindingDB Entry 50036616: Newly synthesized L-enantiomers of 3'-fluoro-modified beta-2'-deoxyribonucleoside 5'-triphosphates inhibit hepatitis B DNA polymerases but not the five cellular DNA polymerases alpha, beta, gamma, delta, and epsilon nor HIV-1 reverse transcriptase.

description: Small molecule binding data for protein DNA polymerase (alpha/delta/epsilon), DNA polymerase beta, DNA polymerase gamma subunit 1, and Human immunodeficiency virus type 1 reverse transcriptase, Uniprot P06746, P09884, and P54098
DOI: 10.7270/q2fx7b0r
title: BindingDB Entry 50035708: (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-[125I]iodo- 2-methoxybenzamide hydrochloride, a new selective radioligand for dopamine D-2 receptors.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2h132dz
title: BindingDB Entry 50033967: Improved synthesis and biological evaluation of chelator-modifieda-MSH analogs prepared by copper-free click chemistry.

description: Small molecule binding data for protein Melanocortin receptor 1, Uniprot Q01727
DOI: 10.7270/q2hm5903
title: BindingDB Entry 50034858: Synthesis of phosphinic acid transition state analogues for the reaction catalysed by kynureninase

description: Small molecule binding data for protein Kynureninase, Uniprot Q16719
DOI: 10.7270/q2hx1dj3
title: BindingDB Entry 50038411: Exploitation of structural and regulatory diversity in glutamate racemases.

description: Small molecule binding data for protein Glutamate racemase, Uniprot P56068 and Q04IS7
DOI: 10.7270/q2j96753
title: BindingDB Entry 50037524: The endocannabinoid system: drug targets, lead compounds, and potential therapeutic applications.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 1 (CB1R), Cannabinoid receptor 2, Fatty-acid amide hydrolase 1 (FAAH), Monoglyceride Lipase (MGL), and N-acylethanolamine acid amidase (NAAA), Uniprot O00519, P20272, P21554, P34972, P47746, P97612, Q02083, and Q99685
DOI: 10.7270/q2kp82q2
title: BindingDB Entry 50035707: Effects of addition of a 2-methyl group to ethyl nipecotates (beta-meperidines) on receptor affinities and opiate agonist/antagonist activities.

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/q2mc90jk
title: BindingDB Entry 50034866: Serotoninergic 5-HT3 and 5-HT4 receptor activities of dihydrobenzofuran carboxylic acid derivatives

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563, Q62758, and Q9JJ16
DOI: 10.7270/q2ms3t5f
title: BindingDB Entry 50033966: Discovery of BI 99179, a potent and selective inhibitor of type I fatty acid synthase with central exposure.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Fatty acid synthase, and Fatty acid synthase (FAS), Uniprot P05177, P08684, P10635, P11712, P19096, P33261, and P49327
DOI: 10.7270/q2np2598
title: BindingDB Entry 50038410: Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2).

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, and c-Jun N-terminal kinase, JNK, Uniprot P45983, P45984, P49185, and P53779
DOI: 10.7270/q2p26zw1
title: BindingDB Entry 50037523: Effect of a 6-cyano substituent in 14-oxygenated N-methylmorphinans on opioid receptor binding and antinociceptive potency.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q2pg1s9k
title: BindingDB Entry 50035715: Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot O08786, P30551, and P32239
DOI: 10.7270/q2pn96h0
title: BindingDB Entry 50038402: Synthesis and structure-activity relationships of a series of benzazepine derivatives as 5-HT2C receptor agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2qc0468
title: BindingDB Entry 50036614: Chemistry and pharmacology of the piperidine-based analogues of cocaine. Identification of potent DAT inhibitors lacking the tropane skeleton.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2qf8tfd
title: BindingDB Entry 50035706: Stereochemical aspects of phenylethanolamine analogues as substrates of phenylethanolamine N-methyltransferase.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P10938
DOI: 10.7270/q2qj7hqx
title: BindingDB Entry 50033973: Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q2r49r8x
title: BindingDB Entry 50034865: Synthesis of ()-10,10-dimethylhuperzine A  a huperzine analogue possessing a slower enzyme off-rate

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P23795
DOI: 10.7270/q2rj4jwr
title: BindingDB Entry 50033965: Identification of novel BRAF kinase inhibitors with structure-based virtual screening.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q2sf2x22
title: BindingDB Entry 50038409: 9-cyano-1-azapaullone (cazpaullone), a glycogen synthase kinase-3 (GSK-3) inhibitor activating pancreatic beta cell protection and replication.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Uniprot Q00535 and Q15078
DOI: 10.7270/q2st7qmf
title: BindingDB Entry 50037521: Iterative approach to the discovery of novel degarelix analogues: substitutions at positions 3, 7, and 8. Part II.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q2td9z7b
title: BindingDB Entry 50038401: Stereospecific synthesis and bio-activity of novel beta(3)-adrenoceptor agonists and inverse agonists.

description: Small molecule binding data for protein Beta-3 adrenergic receptor, Uniprot P13945
DOI: 10.7270/q2v40vwr
title: BindingDB Entry 50036612: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist.

description: Small molecule binding data for protein DOPAMINE, Dopamine receptor D2L/neurotensin receptor NTS1, HTR6, Muscarinic receptor M2 and M3, OPIATE Sigma, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08483, P08909, P14416, P14842, P18901, P19327, P28564, P31388, P32305, and Q9R0C9
DOI: 10.7270/q2v988hj
title: BindingDB Entry 50033972: Towards rational design of cannabinoid receptor 1 (CB1) antagonists for peripheral selectivity.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2vt1smm
title: BindingDB Entry 50034864: Synthesis and biological activity of conformationally constrained sialyl Lewis X analogues with reduced carbohydrate character

description: Small molecule binding data for protein Selectin E, Uniprot P16581
DOI: 10.7270/q2x63nv8
title: BindingDB Entry 50038408: Identification of 4-(4-aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as selective inhibitors of protein kinase B through fragment elaboration.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Cytochrome P450 3A, Glycogen synthase kinase-3, Ribosomal protein S6 kinase (P70S6K), and Serine/threonine-protein kinase AKT, Uniprot P05177, P05181, P08684, P10635, P11509, P11712, P23443, P31751, P33261, and P49841
DOI: 10.7270/q2xk8gb5
title: BindingDB Entry 50037520: Inhibitors of Trypanosoma cruzi trypanothione reductase revealed by virtual screening and parallel synthesis.

description: Small molecule binding data for protein Glutathione reductase (GR) and Trypanothione reductase, Uniprot P00390 and P28593
DOI: 10.7270/q2z038rm
title: BindingDB Entry 50035712: Synthesis of sulfur-containing analogues of bestatin. Inhibition of aminopeptidases by alpha-thiolbestatin analogues.

description: Small molecule binding data for protein Aminopeptidase B, Aminopeptidase N, and Leucine aminopeptidase, Uniprot O09175, P15145, and P28838
DOI: 10.7270/q2zw1mkq
title: BindingDB Entry 50036610: 2'-C-Methyl analogues of selective adenosine receptor agonists: synthesis and binding studies.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A2a, and Adenosine receptor A2a and A3, Uniprot P28190, P28647, and P29274
DOI: 10.7270/q20c4wjv
title: BindingDB Entry 50037536: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

description: Small molecule binding data for protein Cytochrome P450 2A5 and Cytochrome P450 2A6, Uniprot P11509 and P20852
DOI: 10.7270/q20z745t
title: BindingDB Entry 50038415: Synthesis of 1-/2-substituted-[1,2,3]triazolo[4,5-g]phthalazine-4,9-diones and evaluation of their cytotoxicity and topoisomerase II inhibition.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q21r6r37
title: BindingDB Entry 50035720: Investigation of the structural parameters involved in the mu and delta opioid receptor discrimination of linear enkephalin-related peptides.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P97266
DOI: 10.7270/q22n52xm
title: BindingDB Entry 50036619: Specific and irreversible cyclopeptide inhibitors of dipeptidyl peptidase IV activity of the T-cell activation antigen CD26.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q22v2gh4
title: BindingDB Entry 50033978: Design and synthesis of long acting inhaled corticosteroids for the treatment of asthma.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q23b60mb
title: BindingDB Entry 50034871: The N4 nitrogen of pirenzepine is responsible for selective binding of the M1 subtype human muscarinic receptor

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and Muscarinic acetylcholine receptor M2, Uniprot P08172 and P11229
DOI: 10.7270/q2445n8k
title: BindingDB Entry 50037535: Aminoimidazolylmethyluracil analogues as potent inhibitors of thymidine phosphorylase and their bioreductive nitroimidazolyl prodrugs.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP), Uniprot P07650 and P19971
DOI: 10.7270/q24q7vv9
title: BindingDB Entry 50038414: Synthesis, checkpoint kinase 1 inhibitory properties and in vitro antiproliferative activities of new pyrrolocarbazoles.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2542pch
title: BindingDB Entry 50037527: Novel, highly potent adenosine deaminase inhibitors containing the pyrazolo[3,4-d]pyrimidine ring system. Synthesis, structure-activity relationships, and molecular modeling studies.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q25d8shk
title: BindingDB Entry 50036628: Homonojirimycin isomers and N-alkylated homonojirimycins: structural and conformational basis of inhibition of glycosidases.

description: Small molecule binding data for protein Acidic alpha-glucosidase, Alpha-L-fucosidase I, Alpha-glucosidase A (α-Gal A), Maltase-glucoamylase, and Trehalase, Uniprot O43451, P04066, P06280, P17164, and Q6P7A9
DOI: 10.7270/q25h7gv0
title: BindingDB Entry 50035719: Synthesis and evaluation of 5-amino-1-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxamidine and certain related nucleosides as inhibitors of purine nucleoside phosphorylase.

description: Small molecule binding data for protein Purine nucleoside phosphorylase, Uniprot P00491
DOI: 10.7270/q2639q69
title: BindingDB Entry 50034880: Novel frameworks for trifluoromethyl ketone and phosphonate tsa inhibitors of type II PLA2

description: Small molecule binding data for protein Group IID secretory phospholipase A2, Uniprot Q9UNK4
DOI: 10.7270/q269748g
title: BindingDB Entry 50036618: Structural analysis of thrombin complexed with potent inhibitors incorporating a phenyl group as a peptide mimetic and aminopyridines as guanidine substitutes.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Protein Farnesyltransferase (PFT), and Prothrombin, Uniprot P00734, P05106, P08514, P49354, and P49356
DOI: 10.7270/q26m376d
title: BindingDB Entry 50033977: Conformationally constrained analogs of BAY 59-3074 as novel cannabinoid receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot P20272, P21554, P34972, and P47936
DOI: 10.7270/q27h1kf6
title: BindingDB Entry 50038421: N-pyridin-3-yl- and N-quinolin-3-yl-benzamides: modulators of human vanilloid receptor 1 (TRPV1).

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q27w6d00
title: BindingDB Entry 50037534: Discovery of 5-arylsulfonamido-3-(pyrrolidin-2-ylmethyl)-1H-indole derivatives as potent, selective 5-HT6 receptor agonists and antagonists.

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, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Serotonin (5-HT) receptor, Uniprot P08908, P14416, P21917, P28221, P28222, P28223, P28335, P30939, P34969, P35462, and P50406
DOI: 10.7270/q28c9x48
title: BindingDB Entry 50038413: epigenetic multiple ligands: mixed histone/protein methyltransferase, acetyltransferase, and class III deacetylase (sirtuin) inhibitors.

description: Small molecule binding data for protein RmtA
DOI: 10.7270/q29887kq
title: BindingDB Entry 50035718: Conformational analysis and structural comparisons of (1R,3S)-(+)- and (1S,3R)-(-)-tefludazine, (S)-(+)- and (R)-(-)-octoclothepin, and (+)-dexclamol in relation to dopamine receptor antagonism and amine-uptake inhibition.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q29w0fz9
title: BindingDB Entry 50034879: DERIVATIVES OF 4-AMINO-PYRIDINE AS SELECTIVE THROMBIN INHIBITORS

description: Small molecule binding data for protein Plasminogen, Prothrombin, and Trypsin, Uniprot P00734, P00747, and P00760
DOI: 10.7270/q2b858jv
title: BindingDB Entry 50033976: Discovery of inhibitors of plasminogen activator inhibitor-1: structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives.

description: Small molecule binding data for protein Plasminogen activator inhibitor-1, Uniprot P05121
DOI: 10.7270/q2bv7h40
title: BindingDB Entry 50034869: The identification of cyclooxygenase-1 inhibitors from 4-thiazolidinone combinatorial libraries

description: Small molecule binding data for protein Cyclooxygenase-1 (COX-1), Uniprot P23219
DOI: 10.7270/q2cn74q9
title: BindingDB Entry 50037533: Defunctionalized lobeline analogues: structure-activity of novel ligands for the vesicular monoamine transporter.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Vesicular monoamine transporter 2 (VMAT2), Uniprot Q01827 and Q05941
DOI: 10.7270/q2dv1kjj
title: BindingDB Entry 50036626: Optimizing the binding of fullerene inhibitors of the HIV-1 protease through predicted increases in hydrophobic desolvation.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2dz08wz
title: BindingDB Entry 50035717: Synthesis and anticholinesterase activity of (-)-N1-norphysostigmine, (-)-eseramine, and other N(1)-substituted analogues of (-)-physostigmine.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2fn16p1
title: BindingDB Entry 50034878: S1 heterocyclic thrombin inhibitors

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin-1, Uniprot P00734, P00742, and P07477
DOI: 10.7270/q2g16174
title: BindingDB Entry 50033975: Synthesis, biological, and antitumor activity of a highly potent 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolate inhibitor with proton-coupled folate transporter and folate receptor selectivity over the reduced folate carrier that inhibits b-glycinamide ribonucleotide formyltransferase.

description: Small molecule binding data for protein Proton-coupled folate transporter, Uniprot Q96NT5
DOI: 10.7270/q2gm87tv
title: BindingDB Entry 50034868: Trishomocubanes, a new class of selective and high affinity ligands for the sigma binding site

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2gx4cf5
title: BindingDB Entry 50038419: "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits.

description: Small molecule binding data for protein Aromatase (CYP19), Estradiol receptor beta (ERβ), and Nitric oxide synthase, inducible, Uniprot P11511, P35228, and Q92731