cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2154h3q
title: BindingDB Entry 50030501: Aerobic oxidation of indolomorphinan without the 4,5-epoxy bridge and subsequent rearrangement of the oxidation product to spiroindolinonyl-C-normorphinan derivative.

description: Small molecule binding data for protein mu/kappa opioid receptor, Uniprot P41144 and P97266
DOI: 10.7270/q21836xd
title: BindingDB Entry 50034114: Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.

description: Small molecule binding data for protein Ah Receptor, Ephrin receptor, Ephrin type-B receptor 3 (EPHB3), Epidermal growth factor receptor, Receptor tyrosine-protein kinase erbB-4 (HER4), SRC, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519, P00533, P06239, P06241, P07948, P12931, P29322, P30561, P42685, P51451, P51813, P54753, Q06187, and Q15303
DOI: 10.7270/q22b8zbs
title: BindingDB Entry 50033256: Utilization of nitrophenylphosphates and oxime-based ligation for the development of nanomolar affinity inhibitors of the Yersinia pestis outer protein H (YopH) phosphatase.

description: Small molecule binding data for protein Dual specificity protein phosphatase 14, Dual specificity protein phosphatase VHX (VHX), Protein-tyrosine phosphatase 1B, Receptor-type tyrosine-protein phosphatase F (LAR), and Secreted effector protein, Uniprot O95147, P10586, P18031, and Q9NRW4
DOI: 10.7270/q22z15sn
title: BindingDB Entry 50032433: Rational design of novel pyrrolidine derivatives as orally active neurokinin-3 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor and Neurokinin 3 receptor, Uniprot P25103 and P29371
DOI: 10.7270/q23x86pb
title: BindingDB Entry 50030509: Influence of the side chain next to C-terminal benzimidazole in opioid pseudopeptides containing the Dmt-Tic pharmacophore.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, and P97266
DOI: 10.7270/q24q7v3f
title: BindingDB Entry 50031479: Design, synthesis and evaluation of constrained tetrahydroimidazopyrimidine derivatives as antagonists of corticotropin-releasing factor type 1 receptor (CRF1R).

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q24x57tq
title: BindingDB Entry 50030500: Design, synthesis, enzyme inhibition, and tumor cell growth inhibition of 2-anilinobenzamide derivatives as SIRT1 inhibitors.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, Uniprot Q96EB6
DOI: 10.7270/q2513zm9
title: BindingDB Entry 50034113: Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G protein-coupled receptor 44, Prostanoid DP receptor, Prostanoid IP receptor, Prostanoid TP receptor, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, P21731, P43119, Q12809, Q13258, and Q9Y5Y4
DOI: 10.7270/q2639q2h
title: BindingDB Entry 50033255: Synthesis and biological evaluation of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)pyrazoles as transforming growth factor-ß type 1 receptor kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type I, Uniprot P36897 and Q16539
DOI: 10.7270/q26q1xgj
title: BindingDB Entry 50032432: Expansion of SAR studies on triaryl bis sulfone cannabinoid CB2 receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor 2, Uniprot P34972
DOI: 10.7270/q27s7p6b
title: BindingDB Entry 50034120: Synthesis and in vivo evaluation of [18F]N-(2-benzofuranylmethyl)-N'-[4-(2-fluoroethoxy)benzyl]piperazine, a novels1 receptor PET imaging agent.

description: Small molecule binding data for protein Sigma and Sigma-1 receptor, Uniprot Q60492 and Q99720
DOI: 10.7270/q28g8ktr
title: BindingDB Entry 50031478: Benzimidazole Thumb Pocket I finger-loop inhibitors of HCV NS5B polymerase: improved drug-like properties through C-2 SAR in three sub-series.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q28k795k
title: BindingDB Entry 50030498: Benzothiophene inhibitors of MK2. Part 1: structure-activity relationships, assessments of selectivity and cellular potency.

description: Small molecule binding data for protein Cyclin-dependent kinase 1 and MAP kinase-activated protein kinase 2, Uniprot P06493 and P49137
DOI: 10.7270/q28s4q98
title: BindingDB Entry 50034112: Synthesis and biochemical evaluation ofd(2)-isoxazoline derivatives as DNA methyltransferase 1 inhibitors.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1 (DNMT1), Uniprot P26358
DOI: 10.7270/q29w0fs2
title: BindingDB Entry 50033253: Synthesis and structure-activity relationship studies of urea-containing pyrazoles as dual inhibitors of cyclooxygenase-2 and soluble epoxide hydrolase.

description: Small molecule binding data for protein Cyclooxygenase and Epoxide hydratase, Uniprot P34913 and P35354
DOI: 10.7270/q2bg2p7q
title: BindingDB Entry 50032431: Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2c829f3
title: BindingDB Entry 50031486: Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Inhibitor of NF-kappa-B kinase (IKK), Insulin-like growth factor I receptor, MAP kinase ERK2, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 2, Mitogen-activated protein kinase kinase kinase 8, PI3-kinase subunit alpha, PKC alpha and beta-2, Protein kinase C alpha type, RAF serine/threonine protein kinase, Rho-associated protein kinase, SRC, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase ABL1, VEGF-receptor 2 and tyrosine-protein kinase SRC, and c-Jun N-terminal kinase, JNK, Uniprot O14757, O14920, O15530, P00519, P05771, P06239, P06241, P06493, P08069, P12931, P15056, P17252, P24941, P28482, P31749, P41279, P42336, P42345, P45983, P49137, P53350, Q12851, Q13464, and Q16539
DOI: 10.7270/q2db81ww
title: BindingDB Entry 50030497: Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylcholine receptor antagonist for the treatment of COPD.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M2, Uniprot P08172, P11229, and P20309
DOI: 10.7270/q2fj2h3g
title: BindingDB Entry 50033252: 17,20-Lyase inhibitors. Part 3: Design, synthesis, and structure-activity relationships of biphenylylmethylimidazole derivatives as novel 17,20-lyase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 17A1 and Cytochrome P450 3A, Uniprot P05093, P08684, and P11715
DOI: 10.7270/q2g73dz1
title: BindingDB Entry 50032429: Design and synthesis of KNT-127, ad-opioid receptor agonist effective by systemic administration.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P41144, and P42866
DOI: 10.7270/q2h41rgd
title: BindingDB Entry 50030505: Investigation of the pharmacophore space of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) NTPase/helicase by dihydroxychromone derivatives.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO), Uniprot P0C6X7
DOI: 10.7270/q2h70g7m
title: BindingDB Entry 50034118: Synthesis, biological evaluation, and molecular docking studies of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan moiety as potential anticancer agents.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2j10396
title: BindingDB Entry 50031476: Discovery of novel and potent benzhydryl-tropane trypanocides highly selective for Trypanosoma cruzi.

description: Small molecule binding data for protein Trypanothione reductase, Uniprot P28593
DOI: 10.7270/q2k937ts
title: BindingDB Entry 50033251: Synthesis and anti-melanogenic activity of hydroxyphenyl benzyl ether analogues.

description: Small molecule binding data for protein Tyrosinase, Uniprot P11344
DOI: 10.7270/q2m045pr
title: BindingDB Entry 50032428: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

description: Small molecule binding data for protein 1,4-Dihydroxy-2-naphthoyl-CoA synthase, Uniprot P9WNP5
DOI: 10.7270/q2mw2h6t
title: BindingDB Entry 50030504: 3,4-Disubstituted benzofuran P1' MMP-13 inhibitors: optimization of selectivity and reduction of protein binding.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), Collagenase, and Matrix metalloproteinase-14 (MMP14), Uniprot O75173, P08253, P14780, P45452, and P50281
DOI: 10.7270/q2n016xg
title: BindingDB Entry 50034117: Lactam-stabilized helical analogues of the analgesicµ-conotoxin KIIIA.

description: Small molecule binding data for protein Sodium channel protein type 8 subunit alpha, Sodium channel protein type I alpha subunit, Sodium channel protein type II alpha subunit, Sodium channel protein type III alpha subunit, Sodium channel protein type IX alpha subunit, Sodium channel protein type V alpha subunit, and Voltage-gated sodium channel subunit alpha Nav1.4, Uniprot O08562, P04774, P04775, P08104, P15389, P15390, and Q9WTU3
DOI: 10.7270/q2p26zdr
title: BindingDB Entry 50033259: Developing potent human uric acid transporter 1 (hURAT1) inhibitors.

description: Small molecule binding data for protein Uric Acid Transporter 1 (URAT1), Uniprot Q96S37
DOI: 10.7270/q2qr4xcb
title: BindingDB Entry 50032427: Inhibitors of the tyrosine kinase EphB4. Part 3: identification of non-benzodioxole-based kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Ephrin type-B receptor 4 (EphB4), Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 2, Uniprot P08684, P09619, P10635, P11712, P33261, P35968, P54760, and Q541P7
DOI: 10.7270/q2rj4jnm
title: BindingDB Entry 50031482: Preparation and structural, biochemical, and pharmaceutical characterizations of bile acid-modified long-acting exendin-4 derivatives.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor, Uniprot P32301
DOI: 10.7270/q2rn37x4
title: BindingDB Entry 50030503: The discovery of azepane sulfonamides as potent 11beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q2rr1znh
title: BindingDB Entry 50034116: Bioassay-guided identification of an anti-inflammatory prenylated acylphloroglucinol from Melicope ptelefolia and molecular insights into its interaction with 5-lipoxygenase.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Arachidonate 5-lipoxygenase, Cyclooxygenase, and Cyclooxygenase-1 (COX-1), Uniprot P09917, P23219, P35354, and P48999
DOI: 10.7270/q2th8mz8
title: BindingDB Entry 50032435: Discovery of N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide, an orally active, gut-selective CCK1 receptor agonist for the potential treatment of obesity.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551 and P32238
DOI: 10.7270/q2w959bw
title: BindingDB Entry 50031481: Structure-activity relationships for substrate-based inhibitors of human complement factor B.

description: Small molecule binding data for protein Complement factor B, Uniprot P00751
DOI: 10.7270/q2wd40nv
title: BindingDB Entry 50030502: Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 3 and Cytochrome P450 2D6 (2D6), Uniprot P10635, P51677, and P51678
DOI: 10.7270/q2wh2qdp
title: BindingDB Entry 50034115: Design, synthesis and biological evaluation of benzo[1.3.2]dithiazolium ylide 1,1-dioxide derivatives as potential dual cyclooxygenase-2/5-lipoxygenase inhibitors.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Cyclooxygenase, Uniprot P09917 and P35354
DOI: 10.7270/q2xk8fvg
title: BindingDB Entry 50033257: Discovery of highly potent and neurotensin receptor 2 selective neurotensin mimetics.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Neurotensin receptor, Uniprot O95665 and P30989
DOI: 10.7270/q2028rpd
title: BindingDB Entry 50031491: Furo[2,3-b]pyridine-based cannabinoid-1 receptor inverse agonists: synthesis and biological evaluation. Part 1.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P21554, P33261, P34972, and Q12809
DOI: 10.7270/q2057g0s
title: BindingDB Entry 50030510: Characterization of novel selective H1-antihistamines for clinical evaluation in the treatment of insomnia.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Cytochrome P450 2D6 (2D6), Histamine H1 receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Voltage-gated potassium channel, Uniprot P10635, P11229, P20309, P28223, P35367, and Q12809
DOI: 10.7270/q20865q4
title: BindingDB Entry 50034122: Novel orally active antimalarial thiazoles.

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/q21c1x6z
title: BindingDB Entry 50033267: Discovery of molecular switches within the ADX-47273 mGlu5 PAM scaffold that modulate modes of pharmacology to afford potent mGlu5 NAMs, PAMs and partial antagonists.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q2222v01
title: BindingDB Entry 50032441: Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q23r0t1h
title: BindingDB Entry 50031490: Synthesis and structure-activity relationships of dimeric peptide antagonists of the human immunoglobulin G-human neonatal Fc receptor (IgG-FcRn) interaction.

description: Small molecule binding data for protein IgG receptor FcRn large subunit p51, Uniprot P55899
DOI: 10.7270/q2416xgx
title: BindingDB Entry 50034121: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists.

description: Small molecule binding data for protein Adhesin protein fimH, Uniprot P08191
DOI: 10.7270/q2542nx8
title: BindingDB Entry 50033266: Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q25q4wb5
title: BindingDB Entry 50032440: 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections.

description: Small molecule binding data for protein 3-oxoacyl-acyl-carrier protein reductase, Enoyl-ACP Reductase (InhA), Enoyl-ACP Reductase (PfENR), and Fatty acid synthase, Uniprot P9WGR1 and Q9BJJ9
DOI: 10.7270/q27h1jqc
title: BindingDB Entry 50031487: Selective p38alpha inhibitors clinically evaluated for the treatment of chronic inflammatory disorders.

description: Small molecule binding data for protein Activin receptor type-2B, Casein kinase I delta/epsilon, MAP kinase p38, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, Phosphatidylinositol 4-kinase beta (PIK4KB), Serine/threonine protein kinase NLK, and c-Jun N-terminal kinase, JNK, Uniprot P45983, P45984, P49674, P53779, Q13705, Q15759, Q16539, Q9UBE8, and Q9UBF8
DOI: 10.7270/q27p8zdp
title: BindingDB Entry 50030507: Fascaplysin-inspired diindolyls as selective inhibitors of CDK4/cyclin D1.

description: Small molecule binding data for protein Cyclin-dependent kinase 2 and Cyclin-dependent kinase 4, Uniprot P11802 and P24941
DOI: 10.7270/q28w3dnp
title: BindingDB Entry 50033264: Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3a,7a-dihydroxy-6a-ethyl-24-nor-5ß-cholan-23-amine.

description: Small molecule binding data for protein Bile acid receptor FXR and G-protein coupled bile acid receptor 1, Uniprot Q8TDU6 and Q96RI1
DOI: 10.7270/q29g5n1f
title: BindingDB Entry 50032439: Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series.

description: Small molecule binding data for protein C-C chemokine receptor type 5, C-C motif chemokine 5, and Voltage-gated potassium channel, Uniprot P13501, P51681, and Q12809
DOI: 10.7270/q2b85888
title: BindingDB Entry 50031496: Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors. Part 2: Modification of P3, P4, and P5 regions.

description: Small molecule binding data for protein Cathepsin S, Uniprot P25774
DOI: 10.7270/q2bg2p2g
title: BindingDB Entry 50030517: Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2J2, Epoxide hydratase, and Epoxide hydrolase 2, Uniprot P11712, P33261, P34913, P51589, and P80299
DOI: 10.7270/q2bk1cst
title: BindingDB Entry 50034127: Binding of isoxazole and pyrazole derivatives of curcumin with the activator binding domain of novel protein kinase C.

description: Small molecule binding data for protein Protein kinase C delta type, Protein kinase C theta type, and Protein kinase C, epsilon, Uniprot Q02156, Q04759, and Q05655
DOI: 10.7270/q2cc10r2
title: BindingDB Entry 50030506: Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2cj8dw6
title: BindingDB Entry 50034119: Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR) and Hematopoietic protein-tyrosine phosphatase (HEPTP), Uniprot P35236 and P51452
DOI: 10.7270/q2dn45cd
title: BindingDB Entry 50033263: Synthesis and pharmacological evaluation of thieno[2,3-b]pyridine derivatives as novel c-Src inhibitors.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2f76cs6
title: BindingDB Entry 50032438: Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives.

description: Small molecule binding data for protein Sodium channel protein type X alpha subunit, Transient receptor potential cation channel subfamily V member 1, Voltage-gated calcium channel subunit alpha Cav2.2, Voltage-gated potassium channel, Voltage-gated potassium channel subunit Kv7.2/Kv7.3, Voltage-gated sodium channel subunit Nav1.5, Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), and Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot O43525, O43526, Q00975, Q12809, Q14524, Q62968, Q6QIY3, Q8NER1, Q99250, and Q9Y5Y9
DOI: 10.7270/q2g160z4
title: BindingDB Entry 50031495: Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors: part 1.

description: Small molecule binding data for protein Cathepsin S, Uniprot P25774
DOI: 10.7270/q2g44qb1
title: BindingDB Entry 50030515: 5-lipoxygenase-activating protein inhibitors: development of 3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM103).

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Cyclooxygenase-1 (COX-1), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Purinergic receptor P2Y12, Uniprot P05177, P08684, P10635, P11712, P20292, P23219, P33261, and Q9H244
DOI: 10.7270/q2gb24g3
title: BindingDB Entry 50034126: Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2h1325t
title: BindingDB Entry 50031485: 4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesulfonate) (NSC 88915) and related novel steroid derivatives as tyrosyl-DNA phosphodiesterase (Tdp1) inhibitors.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q2j966pd
title: BindingDB Entry 50033261: Design, synthesis, and structure-activity relationship studies of thiophene-3-carboxamide derivatives as dual inhibitors of the c-Jun N-terminal kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase 9, Transcription factor AP-1, and c-Jun N-terminal kinase, JNK, Uniprot P05412, P45983, and P45984
DOI: 10.7270/q2k074hx
title: BindingDB Entry 50032437: Discovery of orally bioavailable imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, CaM kinase IV, Casein kinase I isoform delta, Cyclin-dependent kinase 2, Epidermal growth factor receptor, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Interleukin-1 receptor-associated kinase 4, MAP kinase ERK2, Protein kinase C alpha type, Rho-associated protein kinase, Ribosomal protein S6 kinase alpha 3, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PLK3, Testis-specific serine/threonine-protein kinase 2, Tyrosine-protein kinase JAK2, and Vascular endothelial growth factor receptor 2, Uniprot O14757, O14920, O14965, O60674, O75116, P00533, P06239, P08581, P17252, P24941, P28482, P31749, P35968, P48730, P51812, Q16566, Q96GD4, Q96PF2, Q9H4B4, and Q9NWZ3
DOI: 10.7270/q2kw5g2f
title: BindingDB Entry 50030514: Design and evaluation of novel biphenyl sulfonamide derivatives with potent histamine H(3) receptor inverse agonist activity.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1