cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q26q1xjf
title: BindingDB Entry 50032881: Discovery of imidazo[1,2-b]pyridazines as IKKß inhibitors. Part 2: improvement of potency in vitro and in vivo.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q26w9bqd
title: BindingDB Entry 50036285: Selective inhibition of trypanosomal glyceraldehyde-3-phosphate dehydrogenase by protein structure-based design: toward new drugs for the treatment of sleeping sickness.

description: Small molecule binding data for protein Glyceraldehyde-3-phosphate dehydrogenase liver, Uniprot P04406
DOI: 10.7270/q28k79jh
title: BindingDB Entry 50034531: Discovery of AMG 853, a CRTH2 and DP Dual Antagonist.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q28w3dp4
title: BindingDB Entry 50033672: Discovery of indazoles as inhibitors of Tpl2 kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 8, Uniprot P41279
DOI: 10.7270/q29s1rmw
title: BindingDB Entry 50035331: Synthesis of para-alkyl aryl amide analogues of sphingosine-1-phosphate: discovery of potent S1P receptor agonists.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2bg2p85
title: BindingDB Entry 50032880: 1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors: separation of desired cellular activity from undesired tissue accumulation through optimization of basic nitrogen pka.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, and Cathepsin V, Uniprot O60911, O70370, P07711, P07858, P25774, and P43235
DOI: 10.7270/q2bk1d0x
title: BindingDB Entry 50036284: Nucleic acid related compounds. 84. Synthesis of 6'-(E and Z)-halohomovinyl derivatives of adenosine, inactivation of S-adenosyl-L-homocysteine hydrolase, and correlation of anticancer and antiviral potencies with enzyme inhibition.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2db829p
title: BindingDB Entry 50034530: Phosphodiesterase inhibitors. Part 3: Design, synthesis and structure-activity relationships of dual PDE3/4-inhibitory fused bicyclic heteroaromatic-dihydropyridazinones with anti-inflammatory and bronchodilatory activity.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3) and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343 and Q14432
DOI: 10.7270/q2dn45f9
title: BindingDB Entry 50033671: Benzothiazole-based N-(phenylsulfonyl)amides as a novel family of PPARa antagonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot Q07869
DOI: 10.7270/q2fj2hbm
title: BindingDB Entry 50035330: Synthesis and evaluation of phosphoramidate amino acid-based inhibitors of sialyltransferases.

description: Small molecule binding data for protein CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase and CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase, Uniprot P13721 and Q02734
DOI: 10.7270/q2g73f0w
title: BindingDB Entry 50032879: DNA-dependent protein kinase (DNA-PK) inhibitors: structure-activity relationships for O-alkoxyphenylchromen-4-one probes of the ATP-binding domain.

description: Small molecule binding data for protein DNA-dependent protein kinase and PI3-kinase subunit alpha, Uniprot P42336 and P78527
DOI: 10.7270/q2gb24ps
title: BindingDB Entry 50036283: Structure-activity relationship studies of N-sulfonyl analogs of cocaine: role of ionic interaction in cocaine binding.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2j38t11
title: BindingDB Entry 50034529: Structure-activity relationship studies of SYA 013, a homopiperazine analog of haloperidol.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Histamine H1 receptor, Uniprot P08908, P14416, P28223, P28335, P30729, P35367, and P35462
DOI: 10.7270/q2jd4x5n
title: BindingDB Entry 50033670: Design, synthesis and evaluation of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase.

description: Small molecule binding data for protein Leukocyte elastase, Prothrombin, and Urokinase-type plasminogen activator, Uniprot P00734, P00749, and P08246
DOI: 10.7270/q2k9382b
title: BindingDB Entry 50035329: Novel inhibitors of neuronal nitric oxide synthase with potent antioxidant properties.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial and Nitric-oxide synthase, brain, Uniprot P29473 and P29476
DOI: 10.7270/q2m045q6
title: BindingDB Entry 50032877: Synthesis and structure-analgesic activity relationships of a novel series of monospirocyclopiperazinium salts (MSPZ).

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit and Nicotinic acetylcholine receptor beta-2 (β2 nAChR), Uniprot P17787 and P36544
DOI: 10.7270/q2m32wd4
title: BindingDB Entry 50036282: Antipodal alpha-N-(methyl through decyl)-N-normetazocines (5,9 alpha-dimethyl-2'-hydroxy-6,7-benzomorphans): in vitro and in vivo properties.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Sigma, Uniprot P33535, P35372, P41143, P41145, P42866, and Q99720
DOI: 10.7270/q2nv9jqk
title: BindingDB Entry 50034528: 7-Substituted-pyrrolo[3,2-d]pyrimidine-2,4-dione derivatives as antagonists of the transient receptor potential ankyrin 1 (TRPA1) channel: a promising approach for treating pain and inflammation.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762 and Q6RI86
DOI: 10.7270/q2p26zgn
title: BindingDB Entry 50033669: Discovery of potent, selective, and orally bioavailable quinoline-based dipeptidyl peptidase IV inhibitors targeting Lys554.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase II, Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, Q86TI2, and Q9EPB1
DOI: 10.7270/q2pr7w8d
title: BindingDB Entry 50032885: Preparation and in vitro screening of symmetrical bis-isoquinolinium cholinesterase inhibitors bearing various connecting linkage--implications for early Myasthenia gravis treatment.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2pz59c1
title: BindingDB Entry 50035328: Stereoselective synthesis of phosphoramidate alpha(2-6)sialyltransferase transition-state analogue inhibitors.

description: Small molecule binding data for protein Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase III, Uniprot Q64686
DOI: 10.7270/q2qv3n50
title: BindingDB Entry 50036280: The synthesis and thymidylate synthase inhibitory activity of L-gamma-L-linked dipeptide and L-gamma-amide analogues of 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583).

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q2sn09dd
title: BindingDB Entry 50034527: N-(4-Substituted-benzoyl)-N'-(ß-d-glucopyranosyl)ureas as inhibitors of glycogen phosphorylase: Synthesis and evaluation by kinetic, crystallographic, and molecular modelling methods.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q2sq90zz
title: BindingDB Entry 50035336: Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP) and Thymidine phosphorylase, Uniprot P19971 and Q99N42
DOI: 10.7270/q2st7q5m
title: BindingDB Entry 50033668: Development of substrate analogue inhibitors for the human airway trypsin-like protease HAT.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Matriptase, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Transmembrane protease serine 11D, Transmembrane protease serine 2, and Transmembrane protease serine 6, Uniprot O15393, O60235, P00734, P00742, P00747, P03952, Q8IU80, and Q9Y5Y6
DOI: 10.7270/q2th8n04
title: BindingDB Entry 50032884: Probing the mid-gorge of cholinesterases with spacer-modified bivalent quinazolinimines leads to highly potent and selective butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2vm4cxr
title: BindingDB Entry 50036278: 3-Amino-5,5-dimethylhexanoic acid. Synthesis, resolution, and effects on carnitine acyltransferases.

description: Small molecule binding data for protein Carnitine acetylase, Carnitine palmitoyltransferase 1B, and Carnitine palmitoyltransferase 2, Uniprot P18886, P43155, and Q63704
DOI: 10.7270/q2x92brv
title: BindingDB Entry 50034526: Exploration ofa-aminophosphonate N-derivatives as novel, potent and selective inhibitors of protein tyrosine phosphatases.

description: Small molecule binding data for protein Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase MEG2 (PTP-Meg2), and T-cell protein-tyrosine phosphatase, Uniprot P17706, P18031, P29350, P43378, and Q06124
DOI: 10.7270/q2xg9rp9
title: BindingDB Entry 50035335: Design and synthesis of a new fluorescent probe for cytochrome P450 3A4 (CYP 3A4).

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2xk8fwx
title: BindingDB Entry 50033667: Synthesis, molecular modeling and biological evaluation ofß-ketoacyl-acyl carrier protein synthase III (FabH) as novel antibacterial agents.

description: Small molecule binding data for protein Beta-ketoacyl-ACP synthase III (FabH), Uniprot C3TDZ2
DOI: 10.7270/q2z89cqf
title: BindingDB Entry 50032883: Difluoroethylamines as an amide isostere in inhibitors of cathepsin K.

description: Small molecule binding data for protein Cathepsin K, Uniprot P43235
DOI: 10.7270/q2057gcq
title: BindingDB Entry 50034541: Rational design of phosphoinositide 3-kinasea inhibitors that exhibit selectivity over the phosphoinositide 3-kinaseß isoform.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q20c4w4g
title: BindingDB Entry 50033682: Identification of 2-oxatriazines as highly potent pan-PI3K/mTOR dual inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot P42336, P42345, and P48736
DOI: 10.7270/q2222v2x
title: BindingDB Entry 50032890: Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies.

description: Small molecule binding data for protein Glyoxalase 1 (GLO1), Uniprot Q04760
DOI: 10.7270/q2251jtq
title: BindingDB Entry 50036294: Selective ligands for rat A3 adenosine receptors: structure-activity relationships of 1,3-dialkylxanthine 7-riboside derivatives.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, and Adenosine receptor A2a and A3, Uniprot P25099, P28647, and P30543
DOI: 10.7270/q23t9hqv
title: BindingDB Entry 50034540: Design, synthesis, and functionalization of dimeric peptides targeting chemokine receptor CXCR4.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q25t3krg
title: BindingDB Entry 50032889: Selective antagonists of mouse trace amine-associated receptor 1 (mTAAR1): discovery of EPPTB (RO5212773).

description: Small molecule binding data for protein Trace amine-associated receptor 1 (TAAR1) and trace amine-associated receptor 1, Uniprot Q923Y8, Q923Y9, and Q96RJ0
DOI: 10.7270/q25x29kk
title: BindingDB Entry 50036293: Design and synthesis of potent and highly selective thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin and Trypsin, Uniprot P00734 and P00760
DOI: 10.7270/q27m08dp
title: BindingDB Entry 50034539: Chiral indolo[3,2-f][3]benzazecine-type dopamine receptor antagonists: synthesis and activity of racemic and enantiopure derivatives.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, P21918, and P35462
DOI: 10.7270/q27w6cjr
title: BindingDB Entry 50033680: New substrate analogue furin inhibitors derived from 4-amidinobenzylamide.

description: Small molecule binding data for protein Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA, Uniprot P09958
DOI: 10.7270/q28s4qgh
title: BindingDB Entry 50035341: 6-(2-adamantan-2-ylidene-hydroxybenzoxazole)-O-sulfamate: a potent non-steroidal irreversible inhibitor of human steroid sulfatase.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), and Steroid Sulfatase (STS), Uniprot P03372, P08842, and Q92731
DOI: 10.7270/q29g5n3b
title: BindingDB Entry 50032888: Synthesis and galectin-binding activities of mercaptododecyl glycosides containing a terminalß-galactosyl group.

description: Small molecule binding data for protein Galectin-3, Galectin-4, and Galectin-8, Uniprot O00214, P17931, and P56470
DOI: 10.7270/q29p328v
title: BindingDB Entry 50036292: L-N6-(1-iminoethyl)lysine: a selective inhibitor of inducible nitric oxide synthase.

description: Small molecule binding data for protein Nitric Oxide Synthase, inducible and Nitric oxide synthase, inducible, Uniprot P29477 and Q06518
DOI: 10.7270/q2cc114d
title: BindingDB Entry 50034538: Peptidomimetics containing a vinyl ketone warhead as falcipain-2 inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K) and Cathepsin L1, Uniprot P07711 and P07858
DOI: 10.7270/q2cn748g
title: BindingDB Entry 50033679: 6-Aryl-3-pyrrolidinylpyridines as mGlu5 receptor negative allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q2d79bp8
title: BindingDB Entry 50032895: A unique and rapid approach toward the efficient development of novel protein tyrosine phosphatase (PTP) inhibitors based on 'clicked' pseudo-glycopeptides.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P29350, P30305, and Q06124
DOI: 10.7270/q2dj5g67
title: BindingDB Entry 50035340: Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2f76ctn
title: BindingDB Entry 50032887: Aminopyridinecarboxamide-based inhaled IKK-2 inhibitors for asthma and COPD: Structure-activity relationship.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2fb53kv
title: BindingDB Entry 50036291: Synthesis, cocaine receptor affinity, and dopamine uptake inhibition of several new 2 beta-substituted 3 beta-phenyltropanes.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2h41rws
title: BindingDB Entry 50034537: RO4383596, an orally active KDR, FGFR, and PDGFR inhibitor: synthesis and biological evaluation.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Ephrin type-B receptor 3 (EPHB3), Epidermal growth factor receptor, MAP kinase ERK2, Protein kinase C alpha type, Protein kinase C delta type, SRC, Serine/threonine-protein kinase Sgk1, and Vascular endothelial growth factor receptor 2, Uniprot O00141, P00533, P06241, P06493, P14635, P17252, P28482, P35968, P54753, and Q05655
DOI: 10.7270/q2j966xj
title: BindingDB Entry 50035339: Hit-to-Lead studies: the discovery of potent adamantane amide P2X7 receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2k074jc
title: BindingDB Entry 50032886: Structure-activity studies of a novel series of isoxazole-3-carboxamide derivatives as TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2k35v8r
title: BindingDB Entry 50036290: 4,7 beta-Dimethyl-4-azacholestan-3-one (MK-386) and related 4-azasteroids as selective inhibitors of human type 1 5 alpha-reductase.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1) and Steroid 5-alpha-reductase, Uniprot P18405 and P31213
DOI: 10.7270/q2mw2hm6
title: BindingDB Entry 50034536: Discovery of PF-04620110, a Potent, Selective, and Orally Bioavailable Inhibitor of DGAT-1.

description: Small molecule binding data for protein Diacyl Glycerolacyltransferase 1 (DGAT-1), Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, Q96PD7, and Q9ERM3
DOI: 10.7270/q2n58mq4
title: BindingDB Entry 50033677: Synthesis and antiglycation potentials of bergenin derivatives.

description: Small molecule binding data for protein Serum albumin, Uniprot P02769
DOI: 10.7270/q2ns0v51
title: BindingDB Entry 50032893: Non-oxime inhibitors of B-Raf(V600E) kinase.

description: Small molecule binding data for protein Pancreatic endoplasmic reticulum kinase (PERK), Uniprot Q9NZJ5
DOI: 10.7270/q2p26znw
title: BindingDB Entry 50035337: Aryl piperazine melanocortin MC4 receptor agonists.

description: Small molecule binding data for protein Melanocortin receptor 2, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, P56450, Q01726, and Q64326
DOI: 10.7270/q2pv6m05
title: BindingDB Entry 50036289: The synthesis of nucleoside 5'-O-(1,1-dithiotriphosphates).

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2qn6770
title: BindingDB Entry 50034543: Synthesis and biological evaluation of some new 2-pyrazolines bearing benzene sulfonamide moiety as potential anti-inflammatory and anti-cancer agents.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot O62664 and P79208
DOI: 10.7270/q2rn38bx
title: BindingDB Entry 50034535: Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.

description: Small molecule binding data for protein Cytochrome P450 2C19, Uniprot P33261
DOI: 10.7270/q2rv0p27
title: BindingDB Entry 50033676: Discovery of novel fatty acid synthase (FAS) inhibitors based on the structure of ketoaceyl synthase (KS) domain.

description: Small molecule binding data for protein Fatty acid synthase, Uniprot P12276
DOI: 10.7270/q2sj1kwb
title: BindingDB Entry 50032892: Analysis ofß-amino alcohols as inhibitors of the potential anti-tubercular target N-acetyltransferase.

description: Small molecule binding data for protein Arylamine N-acetyltransferase, Uniprot O86309
DOI: 10.7270/q2tm7brx
title: BindingDB Entry 50036288: Peptide-linked 1,3-dialkyl-3-acyltriazenes: gastrin receptor directed antineoplastic alkylating agents.

description: Small molecule binding data for protein CCKBR and Cholecystokinin receptor, Uniprot P30553 and P32239
DOI: 10.7270/q2wd4116
title: BindingDB Entry 50034534: Discovery of INCB3284, a Potent, Selective, and Orally Bioavailable hCCR2 Antagonist.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot O95950, P05177, P08684, P10635, P11712, P33261, P41597, P51683, and Q12809
DOI: 10.7270/q2wm1dr3
title: BindingDB Entry 50033675: Synthesis and biological evaluation of piperamide analogues as HDAC inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, and Q9UBN7
DOI: 10.7270/q2x92bkm
title: BindingDB Entry 50032891: Synthesis, modification, and evaluation of (R)-de-O-methyllasiodiplodin and analogs as nonsteroidal antagonists of mineralocorticoid receptor.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Progesterone receptor, and mineralocorticoid, Uniprot P03372, P06401, and P22199
DOI: 10.7270/q2xd129c
title: BindingDB Entry 50036295: A comparative molecular field analysis model for 6-arylpyrrolo[2,1-d] [1,5]benzothiazepines binding selectively to the mitochondrial benzodiazepine receptor.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q2zc83h3
title: BindingDB Entry 50036287: Nitrogen-in-the-ring pyranoses and furanoses: structural basis of inhibition of mammalian glycosidases.

description: Small molecule binding data for protein β-galactosidase, Acidic alpha-glucosidase, Alpha-L-fucosidase I, Alpha-glucosidase, Beta-galactosidase, Beta-glucosidase A, Lactase-glycosylceramidase, Neutral alpha-glucosidase AB, Neutral alpha-glucosidase C, and Trehalase, Uniprot P04066, P10482, Q02401, Q14697, Q58D55, Q6P7A9, Q8BVW0, and Q9MYM4
DOI: 10.7270/q2125szk
title: BindingDB Entry 50032898: Chemical and biological explorations of the electrophilic reactivity of the bioactive marine natural product halenaquinone with biomimetic nucleophiles.

description: Small molecule binding data for protein Phospholipase A2 (Bee), Uniprot P00630
DOI: 10.7270/q2154hpb
title: BindingDB Entry 50036302: Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, GABA receptor alpha-3/beta-2/gamma-2 subunit, and GABA receptor alpha-6/beta-2/gamma-2 subunit, Uniprot P18508, P20236, P30191, P62813, and P63138
DOI: 10.7270/q2183715
title: BindingDB Entry 50035344: Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs.

description: Small molecule binding data for protein Cyclophilin A and Human immunodeficiency virus type 1 reverse transcriptase, Uniprot P62937
DOI: 10.7270/q22z160r
title: BindingDB Entry 50034548: Evaluation of molecular modeling of agonist binding in light of the crystallographic structure of an agonist-bound A2A adenosine receptor.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P30542, and P30543