cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2z60sfq
title: BindingDB Entry 50008661: Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase δ through a Deconstruction and Regrowth Approach.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Aurora kinase B, Epidermal growth factor receptor, Glycogen synthase kinase-3 beta, Inhibitor of nuclear factor kappa-B kinase subunit alpha, Inhibitor of nuclear factor kappa-B kinase subunit beta, Leucine-rich repeat serine/threonine-protein kinase 2, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 5, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Rho-associated protein kinase 1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase Lck, and Tyrosine-protein kinase SYK, Uniprot O00329, O14920, O15111, O60674, P00533, P06239, P40989, P42336, P42338, P43405, P48736, P49841, P52333, P53779, Q06187, Q08881, Q13464, Q16539, Q5S007, Q96GD4, and Q99683
DOI: 10.7270/q2z60sg5
title: BindingDB Entry 50009307: Recent advances in the discovery and development of glyoxalase I inhibitors.

description: Small molecule binding data for protein Lactoylglutathione lyase, Uniprot Q04760 and Q9CPU0
DOI: 10.7270/q2z60shm
title: BindingDB Entry 50009914: Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

description: Small molecule binding data for protein Hexokinase-4, Uniprot P35557
DOI: 10.7270/q2z60sj2
title: BindingDB Entry 50010223: Structure-Based Design of β5c Selective Inhibitors of Human Constitutive Proteasomes.

description: Small molecule binding data for protein Proteasome subunit beta type-1, Proteasome subunit beta type-2, and Proteasome subunit beta type-5, Uniprot P20618, P28074, and P49721
DOI: 10.7270/q2z60skh
title: BindingDB Entry 50010483: Identification of human lactate dehydrogenase A inhibitors with anti-osteosarcoma activity through cell-based phenotypic screening.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338
DOI: 10.7270/q2z60smz
title: BindingDB Entry 50010820: New CDK8 inhibitors as potential anti-leukemic agents - Design, synthesis and biological evaluation.

description: Small molecule binding data for protein Cyclin-dependent kinase 8, Uniprot P49336
DOI: 10.7270/q2z60snd
title: BindingDB Entry 50011451: Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.

description: Small molecule binding data for protein Prothrombin, Thrombin, and Thyroid hormone receptor beta, Uniprot P10828, P18292, and Q28731
DOI: 10.7270/q2z60spv
title: BindingDB Entry 50012078: A guanidinium-based inhibitor of a type I isopentenyl diphosphate isomerase.

description: Small molecule binding data for protein Farnesyl pyrophosphate synthase, Uniprot P14324 and Q4QBL1
DOI: 10.7270/q2z60sq9
title: BindingDB Entry 50012695: Discovery of a novel series of indolinylpyrimidine-based GPR119 agonists: Elimination of ether-a-go-go-related gene liability using a hydrogen bond acceptor-focused approach.

description: Small molecule binding data for protein Glucose-dependent insulinotropic receptor and glucose-dependent insulinotropic receptor, Uniprot A0A1U8CD06, Q7TQN8, Q7TQP3, and Q8TDV5
DOI: 10.7270/q2z60srr
title: BindingDB Entry 50013045: Design, synthesis and bioevaluation of inhibitors targeting HSP90-CDC37 protein-protein interaction based on a hydrophobic core.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q2z60ss6
title: BindingDB Entry 50013357: Development of small-molecule inhibitors of fatty acyl-AMP and fatty acyl-CoA ligases in Mycobacterium tuberculosis.

description: Small molecule binding data for protein Long-chain-fatty-acid--AMP ligase FadD28, Long-chain-fatty-acid--AMP ligase FadD32, and Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase, Uniprot O53580, P9WQ51, and P9WQ59
DOI: 10.7270/q2z60stn
title: BindingDB Entry 50013705: New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens.

description: Small molecule binding data for protein DNA gyrase subunit A/B, Uniprot P0A0K8, P0AES4, P0AES6, and P20831
DOI: 10.7270/q2z60sv3
title: BindingDB Entry 50013980: Fragment-like Chloroquinolineamines Activate the Orphan Nuclear Receptor Nurr1 and Elucidate Activation Mechanisms.

description: Small molecule binding data for protein Nuclear receptor subfamily 4 group A member 2, Uniprot P43354
DOI: 10.7270/q2z60swj
title: BindingDB Entry 50014334: Design, synthesis and biological evaluation of quinazoline derivatives as potent and selective FGFR4 inhibitors.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, and Fibroblast growth factor receptor 4, Uniprot P11362, P21802, P22455, and P22607
DOI: 10.7270/q2z89gf3
title: BindingDB Entry 9263: Compounds as neuronal histamine receptor-3 antagonists and uses thereof

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9Y5N1
DOI: 10.7270/q2z89ggj
title: BindingDB Entry 9472: Pyrrolidinone compounds

description: Small molecule binding data for protein Dipeptidyl peptidase 4 and Methionine aminopeptidase 2, Uniprot O08663, P27487, P28843, and P50579
DOI: 10.5281/zenodo.7677291
title: mopalia_muscosa_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.7677290
title: mopalia_muscosa_zanfona_1.fasta.gz

description: .
DOI: 10.7270/q2z89gh0
title: BindingDB Entry 9650: Heterocyclic inhibitors of ATR kinase

description: Small molecule binding data for protein ATR-interacting protein/Serine/threonine-protein kinase ATR, Uniprot Q13535 and Q8WXE1
DOI: 10.7270/q2z89gjf
title: BindingDB Entry 9859: Bicyclic lactams and methods of use thereof

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1 [2-375], Uniprot Q13546
DOI: 10.7270/q2z89gkw
title: BindingDB Entry 10037: Nitrile-containing antiviral compounds

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2z89gmb
title: BindingDB Entry 10246: Cyclic substituted imidazo[4,5-c]quinoline derivatives

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 and Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S], Uniprot Q5S007
DOI: 10.7270/q2z89gns
title: BindingDB Entry 10633: Quaternary lactam compound and pharmaceutical use thereof

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2z89gp7
title: BindingDB Entry 50006781: Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q2z89gqp
title: BindingDB Entry 50007376: Alkaloids Purified from

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-3/beta-4, Neuronal acetylcholine receptor subunit alpha-4/beta-2, and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P17787, P30926, P32297, P36544, and P43681
DOI: 10.7270/q2z89gr4
title: BindingDB Entry 50007712: Design, synthesis and structure-activity relationships of novel macrolones: Hybrids of 2-fluoro 9-oxime ketolides and carbamoyl quinolones with highly improved activity against resistant pathogens.

description: Small molecule binding data for protein Cytochrome P450 3A4, Uniprot P08684
DOI: 10.7270/q2z89gsk
title: BindingDB Entry 50007987: Dimerization of α-Conotoxins as a Strategy to Enhance the Inhibition of the Human α7 and α9α10 Nicotinic Acetylcholine Receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-10/alpha-9 and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P36544, P43144, Q05941, Q9GZZ6, Q9JLB5, and Q9UGM1
DOI: 10.7270/q2z89gt1
title: BindingDB Entry 50008313: Discovery of Novel Dual Mechanism of Action Src Signaling and Tubulin Polymerization Inhibitors (KX2-391 and KX2-361).

description: Small molecule binding data for protein Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Insulin receptor, Proto-oncogene tyrosine-protein kinase Src, and Tyrosine-protein kinase Lyn, Uniprot P00519, P05480, P06213, P07948, P11274, and P12931
DOI: 10.7270/q2z89gvg
title: BindingDB Entry 50008967: Diketopiperazine-Type Alkaloids from a Deep-Sea-Derived Aspergillus puniceus Fungus and Their Effects on Liver X Receptor α.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Oxysterols receptor LXR-alpha, Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 11, Tyrosine-protein phosphatase non-receptor type 2, Tyrosine-protein phosphatase non-receptor type 6, and Tyrosine-protein phosphatase non-receptor type 9, Uniprot P14902, P17706, P18031, P29350, P43378, Q06124, and Q13133
DOI: 10.7270/q2z89gwx
title: BindingDB Entry 50009578: Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors.

description: Small molecule binding data for protein Receptor-type tyrosine-protein kinase FLT3, Uniprot P36888
DOI: 10.7270/q2z89gxc
title: BindingDB Entry 50010181: Identification of PTP1B and α-Glucosidase Inhibitory Serrulatanes from Eremophila spp. by Combined use of Dual High-Resolution PTP1B and α-Glucosidase Inhibition Profiling and HPLC-HRMS-SPE-NMR.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2z89gzt
title: BindingDB Entry 50010768: Design, Synthesis, and Pharmacological Evaluation of Second Generation EZH2 Inhibitors with Long Residence Time.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH2, Uniprot Q15910
DOI: 10.7270/q2z89h0p
title: BindingDB Entry 50011111: A small molecule inhibitor of PCSK9 that antagonizes LDL receptor binding via interaction with a cryptic PCSK9 binding groove.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, and Tyrosine-protein kinase ABL1, Uniprot P00519, P09619, P10721, and P12931
DOI: 10.7270/q2z89h14
title: BindingDB Entry 50011399: TBA

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414 and Q9JHG3
DOI: 10.7270/q2z89h2k
title: BindingDB Entry 50011735: Discovery of Benzenesulfonamide Derivatives as Carbonic Anhydrase Inhibitors with Effective Anticonvulsant Action: Design, Synthesis, and Pharmacological Evaluation.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot P00915, P00918, P43166, and Q16790
DOI: 10.7270/q2z89h31
title: BindingDB Entry 50012355: Discovery of Novel Azetidine Amides as Potent Small-Molecule STAT3 Inhibitors.

description: Small molecule binding data for protein Signal transducer and activator of transcription 1/3 and Signal transducer and activator of transcription 3, Uniprot P40763, P42225, and P42227
DOI: 10.7270/q2z89h4g
title: BindingDB Entry 50012985: Dioxane-Linked Amide Derivatives as Novel Bacterial Topoisomerase Inhibitors against Gram-Positive

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, DNA gyrase subunit A/B, and DNA topoisomerase 4 subunit A/B, Uniprot P0A0K8, P0C1U9, P20831, P40989, and Q2FYS5
DOI: 10.7270/q2z89h5x
title: BindingDB Entry 50013654: Synthesis and biological evaluation of 3-styrylchromone derivatives as selective monoamine oxidase B inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2z89h6c
title: BindingDB Entry 50014280: Identification of First-in-Class Inhibitors of Kallikrein-Related Peptidase 6 That Promote Oligodendrocyte Differentiation.

description: Small molecule binding data for protein Kallikrein-1, Kallikrein-6, and Plasminogen, Uniprot P00747, P06870, and Q92876
DOI: 10.7270/q2z89h7t
title: BindingDB Entry 50014641: The Psychedelic Renaissance: Addressing Potential Adverse Effects in a Therapeutic Setting.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Uniprot P28223
DOI: 10.7270/q2zc85x9
title: BindingDB Entry 9054: Methods to treat lymphoplasmacytic lymphoma

description: Small molecule binding data for protein Nuclear receptor subfamily 2 group C member 2, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase HCK, Uniprot P08631, P49116, and Q06187
DOI: 10.7270/q2zc85zr
title: BindingDB Entry 9441: Tetrahydrothiophene-based GABA aminotransferase inactivators and analogs thereof for treating neurological disorders

description: Small molecule binding data for protein 4-aminobutyrate aminotransferase, mitochondrial, Uniprot P80404
DOI: 10.7270/q2zc860m
title: BindingDB Entry 9828: Imidazolonylquinolines and the use thereof as ATM kinase inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Serine-protein kinase ATM, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, P48736, and Q13315
DOI: 10.7270/q2zc8612
title: BindingDB Entry 10215: Composition for inducing differentiation and protection of neural stem cells and method for inducing neuro-regeneration using the same composition

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1 and Dual specificity mitogen-activated protein kinase kinase 2, Uniprot P36507 and Q02750
DOI: 10.7270/q2zc862h
title: BindingDB Entry 10424: Human plasma kallikrein inhibitors

description: Small molecule binding data for protein Plasma kallikrein, Uniprot P03952
DOI: 10.7270/q2zc863z
title: BindingDB Entry 10602: CaMKII inhibitors and uses thereof

description: Small molecule binding data for protein Calcium/calmodulin-dependent protein kinase type II subunit gamma, Uniprot Q13555
DOI: 10.7270/q2zc864d
title: BindingDB Entry 10811: Compounds, salts thereof and methods for treatment of diseases

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Uniprot P28223
DOI: 10.7270/q2zc865v
title: BindingDB Entry 50007054: Development and Therapeutic Potential of Selenazo Compounds.

description: Small molecule binding data for protein Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 9, Sulfhydryl oxidase 1, and Toxin B, Uniprot O00391, P18177, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2zc8669
title: BindingDB Entry 50007663: SGC-AAK1-1: A Chemical Probe Targeting AAK1 and BMP2K.

description: Small molecule binding data for protein AP2-associated protein kinase 1, BMP-2-inducible protein kinase, Cyclin-G-associated kinase, Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma, Serine/threonine-protein kinase 16, Serine/threonine-protein kinase RIO1, and Serine/threonine-protein kinase RIO3, Uniprot O14730, O14976, O60331, O75716, Q2M2I8, Q9BRS2, and Q9NSY1
DOI: 10.7270/q2zc867r
title: BindingDB Entry 50008275: Identification of GSK3186899/DDD853651 as a Preclinical Development Candidate for the Treatment of Visceral Leishmaniasis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, and Cytochrome P450 3A4, Uniprot P08684, P11802, P24941, and P40989
DOI: 10.7270/q2zc8686
title: BindingDB Entry 50008607: Tetrazolylpropan-2-ones as inhibitors of fatty acid amide hydrolase: Studies on structure-activity relationships and metabolic stability.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 [30-579], Uniprot P97612
DOI: 10.7270/q2zc869n
title: BindingDB Entry 50008922: Nucleoside protein arginine methyltransferase 5 (PRMT5) inhibitors.

description: Small molecule binding data for protein Methylosome protein 50/Protein arginine N-methyltransferase 5 and Protein arginine N-methyltransferase 5, Uniprot O14744 and Q9BQA1
DOI: 10.7270/q2zc86b3
title: BindingDB Entry 50009253: Antibacterial Strategy against

description: Small molecule binding data for protein Aminodeoxyfutalosine synthase, Uniprot Q5SK48
DOI: 10.7270/q2zc86cj
title: BindingDB Entry 50009540: Design, synthesis and biological evaluation of quinoline-indole derivatives as anti-tubulin agents targeting the colchicine binding site.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2zc86d0
title: BindingDB Entry 50009861: The evolution of P2X7 antagonists with a focus on CNS indications.

description: Small molecule binding data for protein Cytochrome P450 3A4 and P2X purinoceptor 7, Uniprot P08684, Q64663, and Q99572
DOI: 10.7270/q2zc86ff
title: BindingDB Entry 50010436: Generation of highly potent DYRK1A-dependent inducers of human β-Cell replication via Multi-Dimensional compound optimization.

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A and Maternal embryonic leucine zipper kinase, Uniprot Q13627 and Q14680
DOI: 10.7270/q2zc86gw
title: BindingDB Entry 50011064: Design, Synthesis, and Pharmacological Characterization of Heterobivalent Ligands for the Putative 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A/Metabotropic glutamate receptor 2 and Metabotropic glutamate receptor 2, Uniprot P28223 and Q14416
DOI: 10.7270/q2zc86hb
title: BindingDB Entry 50011685: Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2zc86js
title: BindingDB Entry 50012036: Design, synthesis and biological evaluation of 3,5-diaryl isoxazole derivatives as potential anticancer agents.

description: Small molecule binding data for protein Ribosomal protein S6 kinase beta-1, Uniprot P23443
DOI: 10.7270/q2zc86k7
title: BindingDB Entry 50012304: A dual-acting 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and D(2) dopamine receptor, Uniprot P08908, P14416, P21397, P27338, P28223, P34969, and P50406
DOI: 10.7270/q2zc86mp
title: BindingDB Entry 50012652: Exploiting binding-site arginines in drug design: Recent examples.

description: Small molecule binding data for protein S-adenosylmethionine synthase isoform type-2, Uniprot P31153
DOI: 10.7270/q2zc86n4
title: BindingDB Entry 50013296: Discovery of novel TNNI3K inhibitor suppresses pyroptosis and apoptosis in murine myocardial infarction injury.

description: Small molecule binding data for protein Serine/threonine-protein kinase TNNI3K, Uniprot Q59H18
DOI: 10.7270/q2zc86pk
title: BindingDB Entry 50013930: Discovery of boronic acid-based potent activators of tumor pyruvate kinase M2 and development of gastroretentive nanoformulation for oral dosing.

description: Small molecule binding data for protein Pyruvate kinase PKM, Uniprot P14618
DOI: 10.7270/q2zc86q1
title: BindingDB Entry 50014597: Structure-guided design and development of novel N-phenylpyrimidin-2-amine derivatives as potential c-Met inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Hepatocyte growth factor receptor, Uniprot P08581 and P40989
DOI: 10.7270/q2zg6w8r
title: BindingDB Entry 9023: Isoindoline compositions and methods for treating neurodegenerative disease

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot Q12809, Q5BJF2, and Q99720
DOI: 10.7270/q2zg6w96
title: BindingDB Entry 9232: Small-molecule HSP90 inhibitors

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha and Receptor tyrosine-protein kinase erbB-2, Uniprot P04626 and P07900
DOI: 10.7270/q2zg6wbn
title: BindingDB Entry 9619: Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret, Proto-oncogene tyrosine-protein kinase receptor Ret [G810R], and Proto-oncogene tyrosine-protein kinase receptor Ret [V804M], Uniprot P07949
DOI: 10.7270/q2zg6wc3
title: BindingDB Entry 10006: Heteroaryl-substituted triazoles as APJ receptor agonists

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414
DOI: 10.7270/q2zg6wdj
title: BindingDB Entry 10393: Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 2B, Uniprot Q13224
DOI: 10.7270/q2zg6wgf
title: BindingDB Entry 50006729: Photoswitchable Inhibitor of the Calcium Channel TRPV6.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 6, Uniprot Q9H1D0
DOI: 10.7270/q2zg6whw
title: BindingDB Entry 50007004: Why Some Targets Benefit from beyond Rule of Five Drugs.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase, ALK tyrosine kinase receptor, Apoptosis regulator Bcl-2, Bromodomain-containing protein 4, Dual specificity mitogen-activated protein kinase kinase 1, E3 ubiquitin-protein ligase XIAP, Epidermal growth factor receptor, Gag-Pol polyprotein [489-587], Glucocorticoid receptor, Heat shock protein HSP 90-alpha/90-beta, Histone-lysine N-methyltransferase, H3 lysine-79 specific, Kinesin-like protein KIF11, Mitogen-activated protein kinase 11/12/13/14, Peptidyl-prolyl cis-trans isomerase A, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Prothrombin, RNA-directed RNA polymerase, Renin, Toll-like receptor 4, and Tyrosine-protein kinase ABL1, Uniprot O00206, O00329, O15264, O60885, P00519, P00533, P00734, P00797, P04035, P04150, P04585, P07900, P08238, P10415, P52732, P53778, P62937, P98170, Q02750, Q15759, Q16539, Q8JXU8, Q8TEK3, and Q9UM73
DOI: 10.7270/q2zg6wjb
title: BindingDB Entry 50007320: Design, synthesis, and in vitro evaluation of N-(3-(3-alkyl-1H-pyrazol-5-yl) phenyl)-aryl amide for selective RAF inhibition.

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase and Serine/threonine-protein kinase B-raf, Uniprot P04049 and P15056
DOI: 10.7270/q2zg6wks
title: BindingDB Entry 50007941: Ligand-Based Design of Nondimethylphenyl-Diarylpyrimidines with Improved Metabolic Stability, Safety, and Oral Pharmacokinetic Profiles.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8