cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2df6s69
title: BindingDB Entry 50039364: Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol, systemically potent novel non-peptide agonist of nociceptin/orphanin FQ receptor as analgesic for the treatment of neuropathic pain: design, synthesis, and structure-activity rela

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Acetylcholinesterase, Adenosine receptor A1, Adenosine receptor A2a, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Angiotensin II receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Cannabinoid receptor 1, Cysteinyl leukotriene receptor, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Neurokinin 1 receptor, Nociceptin receptor, Serotonin and norepinephrine transporters (SERT/NET), Small conductance calcium-activated potassium channel, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Tyrosine 3-hydroxylase, and Voltage-gated potassium channel, Uniprot P03372, P04150, P04177, P07550, P08172, P08588, P11229, P14416, P20309, P21397, P21554, P21728, P22303, P23975, P25103, P27338, P28223, P29274, P30542, P30556, P31389, P31645, P35372, P35462, P41143, P41145, P41146, P47747, P50052, P70606, Q01959, Q12809, Q9QYN8, and Q9Y271
DOI: 10.7270/q2j67hxm
title: BindingDB Entry 50039363: Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2nz88mk
title: BindingDB Entry 50039362: Activities of ceftobiprole and other cephalosporins against extracellular and intracellular (THP-1 macrophages and keratinocytes) forms of methicillin-susceptible and methicillin-resistant Staphylococcus aureus.

description: Small molecule binding data for protein Penicillin binding protein 2'
DOI: 10.7270/q2sn09zk
title: BindingDB Entry 50039361: Use of a surface plasmon resonance method to investigate antibiotic and plasma protein interactions.

description: Small molecule binding data for protein Serum albumin, Uniprot P02768
DOI: 10.7270/q2wh2qzv
title: BindingDB Entry 50039368: Tuberatolides, potent FXR antagonists from the Korean marine tunicate Botryllus tuberatus.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2xd12nv
title: BindingDB Entry 50039360: Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P45568
DOI: 10.7270/q208668q
title: BindingDB Entry 50039377: Identification of diaryl ether-based ligands for estrogen-related receptora as potential antidiabetic agents.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), Estrogen-related receptor alpha, Estrogen-related receptor beta, Estrogen-related receptor gamma, Liver X receptor (LXR alpha AND LXR beta), Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Peroxisome proliferator-activated receptor delta (PPAR delta), RXR alpha/PPAR gamma, and Retinoid X receptor gamma/retinoic acid receptor alpha, Uniprot P03372, P08684, P10276, P10635, P11474, P19793, P37231, P55055, P62508, Q03181, Q07869, Q13133, and Q92731
DOI: 10.7270/q20r9qjg
title: BindingDB Entry 50040865: Anacardic acid derived salicylates are inhibitors or activators of lipoxygenases.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Lipoxygenase-1, and Probable linoleate 9S-lipoxygenase 5, Uniprot P08170, P09917, and Q43191
DOI: 10.7270/q23x87n9
title: BindingDB Entry 50039376: Discovery of phosphoric acid mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3-ylmethyl} ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P0DMS8, P10635, P11712, P29274, P29275, P30542, and P33261
DOI: 10.7270/q27p90c1
title: BindingDB Entry 50039375: Discovery, synthesis, and structure-activity relationship development of a series of N-(4-acetamido)phenylpicolinamides as positive allosteric modulators of metabotropic glutamate receptor 4 (mGlu(4)) with CNS exposure in rats.

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGlu4) and Metabotropic glutamate receptor 4 (mGluR4), Uniprot P31423 and Q14833
DOI: 10.7270/q2bz6767
title: BindingDB Entry 50040870: GSK2578215A; a potent and highly selective 2-arylmethyloxy-5-substitutent-N-arylbenzamide LRRK2 kinase inhibitor.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q2cf9r3c
title: BindingDB Entry 50039372: Opioid bifunctional ligands from morphine and the opioid pharmacophore Dmt-Tic.

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/q2gq6zwq
title: BindingDB Entry 50040869: Discovery of a potent, orally bioavailable and highly selective human neuronal nitric oxide synthase (nNOS) inhibitor, N-(1-(piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide as a pre-clinical development candidate for the treatment of migraine.

description: Small molecule binding data for protein Alpha-2B adrenergic receptor, Nitric oxide synthase, brain, Nitric oxide synthase, inducible, Nitric-oxide synthase (endothelial and brain), and Voltage-gated potassium channel, Uniprot P18089, P29475, P35228, and Q12809
DOI: 10.7270/q2h70gt7
title: BindingDB Entry 50039371: Cytochrome P450 3A4 inhibitory constituents of the wood of Taxus yunnanensis.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6) and Cytochrome P450 3A, Uniprot P08684 and P10635
DOI: 10.7270/q2m909rw
title: BindingDB Entry 50040334: A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of ß-Secretase.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2mg7qnw
title: BindingDB Entry 50040868: Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, P48736, and Q8NEB9
DOI: 10.7270/q2n017jz
title: BindingDB Entry 50039370: Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2qz2c20
title: BindingDB Entry 50040333: Short-acting T-type calcium channel antagonists significantly modify sleep architecture in rodents.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel and Voltage-gated potassium channel, Uniprot Q12809 and Q9P0X4
DOI: 10.7270/q2r78gcm
title: BindingDB Entry 50040867: Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, and P22303
DOI: 10.7270/q2rr207x
title: BindingDB Entry 50039369: Eutypoids B-E produced by a Penicillium sp. strain from the North Sea.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2vh5ptg
title: BindingDB Entry 50039378: Discovery of potent competitive antagonists and positive modulators of the P2X2 receptor.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 4, P2X purinoceptor 7 (P2X7), P2X2/P2X3 receptor, Purinergic receptor P2Y12, Purinergic receptor P2Y2, Purinergic, P2X2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P47824, P49653, P49654, P51577, P51582, Q15077, Q64663, and Q9H244
DOI: 10.7270/q2vq33rv
title: BindingDB Entry 50040332: Histamine H3 receptor as a drug discovery target.

description: Small molecule binding data for protein HRH3, Histamine H1 receptor, Histamine H3 receptor, Histamine H4 Receptor, Histamine receptor (H3), Histamine receptor (H4), Histamine receptor H3, and Muscarinic acetylcholine receptor M2, Uniprot P08172, P35367, Q865E1, Q91ZY1, Q9H3N8, Q9JI35, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2w0973b
title: BindingDB Entry 50040866: Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Trace amine-associated receptor 1 (TAAR1), and trace amine-associated receptor 1, Uniprot P08908, Q923Y8, Q923Y9, and Q96RJ0
DOI: 10.7270/q2319wwq
title: BindingDB Entry 50039384: Inhibition of the Hematopoietic Protein Tyrosine Phosphatase by Phenoxyacetic Acids.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Dual specificity protein phosphatase 6, and Hematopoietic protein-tyrosine phosphatase (HEPTP), Uniprot P35236, P51452, and Q16828
DOI: 10.7270/q23779sn
title: BindingDB Entry 50040338: Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aß Reduction.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q23j3f3x
title: BindingDB Entry 50040872: Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q26q1z7t
title: BindingDB Entry 50039383: Syntheses of 2-amino and 2-halothiazole derivatives as high-affinity metabotropic glutamate receptor subtype 5 ligands and potential radioligands for in vivo imaging.

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, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Beta-3 adrenergic receptor, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, GRM8, Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), Histamine receptor (H4), Kappa-type opioid receptor, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 6, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sigma, Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot O00222, O15303, P07550, P08172, P08173, P08588, P08908, P08912, P08913, P11229, P13945, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P25100, P28221, P28222, P28223, P28335, P28566, P31424, P31645, P34969, P35348, P35367, P35368, P35372, P35462, P41143, P41145, P41595, P46098, P47898, P50406, Q01959, Q13255, Q14416, Q14833, Q4W594, Q99720, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q27082hc
title: BindingDB Entry 50040337: Structure-activity relationships and molecular modeling of 1,2,4-triazoles as 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/q2765gh8
title: BindingDB Entry 50040871: Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, C-RAF, Casein kinase I isoform delta, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Dual specificity mitogen-activated protein kinase kinase 1, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase kinase kinase 1, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Protein kinase C theta type, RAF serine/threonine protein kinase, Serine/threonine-protein kinase Chk1, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and c-Jun N-terminal kinase, JNK, Uniprot O14757, O14920, P00533, P04049, P04626, P06213, P06493, P08581, P09619, P10721, P12931, P15056, P16234, P22607, P24941, P27361, P35968, P45983, P48730, P49841, Q02750, Q02763, Q04759, Q13233, Q16539, and Q96GD4
DOI: 10.7270/q2bg2pz4
title: BindingDB Entry 50039382: Interactions of monoamine oxidases with the antiepileptic drug zonisamide: specificity of inhibition and structure of the human monoamine oxidase B complex.

description: Small molecule binding data for protein Amine oxidase [flavin-containing], Amine oxidase [flavin-containing] B, and Monoamine Oxidase Type B (MAO-B), Uniprot P19643, P27338, and Q6NSN2
DOI: 10.7270/q2br8t8v
title: BindingDB Entry 50040336: Tuned-Affinity Bivalent Ligands for the Characterization of Opioid Receptor Heteromers.

description: Small molecule binding data for protein Delta-type opioid receptor and Mu-type opioid receptor, Uniprot P32300 and P42866
DOI: 10.7270/q2g73fq9
title: BindingDB Entry 50039381: Screening multicomponent reactions for X-linked inhibitor of apoptosis-baculoviral inhibitor of apoptosis protein repeats domain binder.

description: Small molecule binding data for protein X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170
DOI: 10.7270/q2gh9k2g
title: BindingDB Entry 50040335: Discovery of Disubstituted Imidazo[4,5-b]pyridines and Purines as Potent TrkA Inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 9 (MLK1), Neurotrophic tyrosine kinase receptor, Phosphorylase kinase, SRC, Serine/threonine-protein kinase SIK1, Serine/threonine-protein kinase WNK3, Testis-specific serine/threonine-protein kinase 2, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Voltage-gated potassium channel, Uniprot O60674, P00519, P04629, P09769, P11362, P12931, P15735, P35916, P36888, P57059, P80192, Q05397, Q06187, Q08881, Q12809, Q16539, Q96PF2, Q9BYP7, and Q9UM73
DOI: 10.7270/q2m046f1
title: BindingDB Entry 50039380: A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Epoxide hydratase and Epoxide hydrolase 2, Uniprot P34913 and P80299
DOI: 10.7270/q2pr7x07
title: BindingDB Entry 50039387: Structure-Activity Relationships at the Monoamine Transporters for a Novel Series of Modafinil (2-[(diphenylmethyl)sulfinyl]acetamide) Analogues.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Sodium-dependent serotonin transporter, and Transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2qr4z4m
title: BindingDB Entry 50039379: Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor.

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/q2th8nqj
title: BindingDB Entry 50039386: Effect of Inhibiting Histone Deacetylase with Short-Chain Carboxylic Acids and Their Hydroxamic Acid Analogs on Vertebrate Development and Neuronal Chromatin.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2v125z3
title: BindingDB Entry 50040874: EC144 is a potent inhibitor of the heat shock protein 90.

description: Small molecule binding data for protein Glucose regulated protein 94kDa (Grp94), Heat shock protein 75 kDa, mitochondrial, and Heat shock protein HSP90, Uniprot P07900, P14625, and Q12931
DOI: 10.7270/q2z89df8
title: BindingDB Entry 50039385: Synthesis and Biological Evaluation of N-Fluoroalkyl and 2-Fluoroalkoxy Substituted Aporphines: Potential PET Ligands for Dopamine D(2) Receptors.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Dopamine receptor, Uniprot P19020, P21728, P35462, and P61169
DOI: 10.7270/q2zs2xp4
title: BindingDB Entry 50040873: Discovery of the investigational drug TAK-441, a pyrrolo[3,2-c]pyridine derivative, as a highly potent and orally active hedgehog signaling inhibitor: modification of the core skeleton for improved solubility.

description: Small molecule binding data for protein Sonic hedgehog protein, Uniprot Q62226
DOI: 10.7270/q2222vsb
title: BindingDB Entry 50039392: Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.

description: Small molecule binding data for protein Extracellular signal-regulated kinase 5 (ERK5), Non-receptor tyrosine-protein kinase TNK1, Serine/threonine-protein kinase DCLK1, Serine/threonine-protein kinase DCLK2, Serine/threonine-protein kinase GAK, and Tyrosine kinase non-receptor protein 2, Uniprot O14976, O15075, Q07912, Q13164, Q13470, and Q8N568
DOI: 10.7270/q25t3mg9
title: BindingDB Entry 50039391: [I]-Celecoxib Analogues as SPECT Tracers of Cyclooxygenase-2 in Inflammation.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and Q05769
DOI: 10.7270/q26974rr
title: BindingDB Entry 50040879: Systematic in vivo screening of a series of 1-propyl-4-arylpiperidines against dopaminergic and serotonergic properties in rat brain: a scaffold-jumping approach.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 1A, Alpha-2A adrenergic receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Monoamine oxidase, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P08908, P08913, P14416, P21396, P28223, P31645, P35462, and P50406
DOI: 10.7270/q29g5ntr
title: BindingDB Entry 50039390: Synthesis and Structure-Activity Relationships of Benzothienothiazepinone Inhibitors of Protein Kinase D.

description: Small molecule binding data for protein Polycystin-2 and Serine/threonine-protein kinase D1, Uniprot Q13563 and Q15139
DOI: 10.7270/q2b27wfn
title: BindingDB Entry 50040878: Development of oseltamivir phosphonate congeners as anti-influenza agents.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03470 and P0DOF9,P0DOF6
DOI: 10.7270/q2d79cd3
title: BindingDB Entry 50039397: Structure based design and syntheses of amino-1H-pyrazole amide derivatives as selective Raf kinase inhibitors in melanoma cells.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, C-RAF, CDK2/Cyclin E/G1/S-specific cyclin E2, Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3, Dual specificity mitogen-activated protein kinase kinase 1, Epidermal growth factor receptor, Fibroblast growth factor receptor 3, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, MAP kinase ERK2, Macrophage-stimulating protein receptor, Mitogen-activated protein kinase 10, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase mTOR, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and c-Jun N-terminal kinase, JNK, Uniprot O95067, O96020, P00533, P04049, P06493, P08069, P08581, P12931, P14635, P22607, P24864, P24941, P28482, P35968, P42345, P45983, P49841, P53350, P53779, Q02750, Q04912, Q05397, Q8WWL7, and Q9UM73
DOI: 10.7270/q2f76djg
title: BindingDB Entry 50039389: TSPO 18 kDa (PBR) Targeted Photosensitizers for Cancer Imaging (PET) and PDT.

description: Small molecule binding data for protein Translocator protein, Uniprot P30536
DOI: 10.7270/q2k07586
title: BindingDB Entry 50039388: Activation of Neuropeptide FF Receptors by Kisspeptin Receptor Ligands.

description: Small molecule binding data for protein G-protein Coupled Receptor 54, NPFF2, and Neuropeptide FF receptor 1, Uniprot Q969F8, Q9GZQ6, and Q9Y5X5
DOI: 10.7270/q2k938nz
title: BindingDB Entry 50040342: Discovery of 2-Alkyl-1-arylsulfonylprolinamides as 11ß-Hydroxysteroid Dehydrogenase Type 1 Inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845, P50172, and P80365