cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q24b32wx
title: BindingDB Entry 50044616: Thiazolidine-2,4-diones derivatives as PPAR-¿ agonists: synthesis, molecular docking, in vitro and in vivo antidiabetic activity with hepatotoxicity risk evaluation and effect on PPAR-¿ gene expression.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2571dpw
title: BindingDB Entry 50045593: Discovery of AM-7209, a potent and selective 4-amidobenzoic acid inhibitor of the MDM2-p53 interaction.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q25h7hwv
title: BindingDB Entry 50045142: Synthesis of bi-/tricyclic azasugars fused thiazinan-4-one and their HIV-RT inhibitory activity.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q25m67fc
title: BindingDB Entry 50046101: Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.

description: Small molecule binding data for protein Bromodomain-containing protein 2 and Bromodomain-containing protein 4, Uniprot O60885 and P25440
DOI: 10.7270/q261123c
title: BindingDB Entry 50046618: Discovery of novel nonpeptide allosteric inhibitors interrupting the interaction of CDK2/cyclin A3 by virtual screening and bioassays.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q2833tkt
title: BindingDB Entry 50044615: Discovery, optimization, and biological evaluation of 5-(2-(trifluoromethyl)phenyl)indazoles as a novel class of transient receptor potential A1 (TRPA1) antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 8 (TRPM8), Transient receptor potential cation channel subfamily V member 1, and Transient receptor potential cation channel subfamily V member 3, Uniprot O75762, Q6RI86, Q7Z2W7, Q8BLA8, Q8NER1, and Q8NET8
DOI: 10.7270/q29025gh
title: BindingDB Entry 50045592: Inhibiting the deubiquitinating enzymes (DUBs).

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin carboxyl-terminal hydrolase 10, Ubiquitin carboxyl-terminal hydrolase 13, Ubiquitin carboxyl-terminal hydrolase 14, and Ubiquitin carboxyl-terminal hydrolase 7, Uniprot O94782, P54578, Q14694, Q92995, and Q93009
DOI: 10.7270/q29888n1
title: BindingDB Entry 50045141: Design, synthesis and docking study of 5-(substituted benzylidene)thiazolidine-2,4-dione derivatives as inhibitors of protein tyrosine phosphatase 1B.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q29c7053
title: BindingDB Entry 50046100: Dihydropyrrolopyrazol-6-one MCHR1 antagonists for the treatment of obesity: Insights on in vivo efficacy from a novel FLIPR assay setup.

description: Small molecule binding data for protein GPR24, Melanin-concentrating hormone receptor, and Voltage-gated potassium channel, Uniprot Q12809 and Q99705
DOI: 10.7270/q29s1sgh
title: BindingDB Entry 50043465: Discovery of 4-amino-2-(thio)phenol derivatives as novel protein kinase and angiogenesis inhibitors for the treatment of cancer: synthesis and biological evaluation. Part II.

description: Small molecule binding data for protein AKT/p21CIP1 and Tyrosine-protein kinase ABL1, Uniprot P00519 and P31749
DOI: 10.7270/q29s1st0
title: BindingDB Entry 50046617: Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective

description: Small molecule binding data for protein GRM7, GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, and metabotropic glutamate 1c, Uniprot O00222, O15303, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q2cr5vzd
title: BindingDB Entry 50044614: Discovery of the first potent and orally available agonist of the orphan G-protein-coupled receptor 52.

description: Small molecule binding data for protein Probable G-protein coupled receptor 52, Uniprot Q9Y2T5
DOI: 10.7270/q2d50pp9
title: BindingDB Entry 50046107: Synthesis, biological evaluation, and molecular docking studies of novel 1-benzene acyl-2-(1-methylindol-3-yl)-benzimidazole derivatives as potential tubulin polymerization inhibitors.

description: Small molecule binding data for protein Tubulin alpha chain /beta chain, Uniprot Q6B856
DOI: 10.7270/q2dr2x6j
title: BindingDB Entry 50045591: Recent advances in the development of acetyl-CoA carboxylase (ACC) inhibitors for the treatment of metabolic disease.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763, P11497, and Q13085
DOI: 10.7270/q2f191cr
title: BindingDB Entry 50045140: Targeting the PPM1D phenotype; 2,4-bisarylthiazoles cause highly selective apoptosis in PPM1D amplified cell-lines.

description: Small molecule binding data for protein Protein phosphatase 1D, Uniprot O15297
DOI: 10.7270/q2fj2j67
title: BindingDB Entry 50043464: Bicyclic and tricyclic heterocycle derivatives as histamine H3 receptor antagonists for the treatment of obesity.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Histamine H3 receptor, Uniprot P10635, P11712, and P58406
DOI: 10.7270/q2hh6mnp
title: BindingDB Entry 50044613: Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors.

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q2jh3nwd
title: BindingDB Entry 50045590: Exemestane metabolites: Synthesis, stereochemical elucidation, biochemical activity and anti-proliferative effects in a hormone-dependent breast cancer cell line.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2k938z0
title: BindingDB Entry 50043463: Synthesis of VS-105: A novel and potent vitamin D receptor agonist with reduced hypercalcemic effects.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2k939bb
title: BindingDB Entry 50046615: Discovery of Triazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys.

description: Small molecule binding data for protein Aromatase (CYP19), Calcium channel (Type L), Cytochrome P450 11B2, Cytochrome P450 17A1, Cytochrome P450 3A, Steroid 11-beta-Hydroxylase (CYP11B1), Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P05093, P08684, P11511, P15538, P19099, Q12809, Q13936, and Q14524
DOI: 10.7270/q2n87cbz
title: BindingDB Entry 50044612: Carbonic anhydrase inhibitors: Synthesis, molecular docking, cytotoxic and inhibition of the human carbonic anhydrase isoforms I, II, IX, XII with novel benzenesulfonamides incorporating pyrrole, pyrrolopyrimidine and fused pyrrolopyrimidine moieties.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2np265w
title: BindingDB Entry 50046105: Design, synthesis and biological evaluation of novel 5-oxo-2-thioxoimidazolidine derivatives as potent androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2p270zq
title: BindingDB Entry 50046622: Integrated kinetic studies and computational analysis on naphthyl chalcones as mushroom tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2q241pq
title: BindingDB Entry 50043462: Synthesis and HDAC inhibitory activity of isosteric thiazoline-oxazole largazole analogs.

description: Small molecule binding data for protein Histone deacetylase 3/NCoR1, Uniprot O15379
DOI: 10.7270/q2q2421m
title: BindingDB Entry 50046614: Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A, Death-associated protein kinase 1, JAK2/TYK2, JAK3/JAK1, Pregnane X receptor (PXR), SRC, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O60674, O75469, P06239, P06241, P08684, P12931, P23458, P29597, P52333, and P53355
DOI: 10.7270/q2sb47cj
title: BindingDB Entry 50045145: Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).

description: Small molecule binding data for protein MurC, MurD, MurF, and UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, Uniprot P11880, P14900, P17952, and P22188
DOI: 10.7270/q2sf2xwt
title: BindingDB Entry 50046104: Design, synthesis and biological evaluation of novel condensed pyrrolo[1,2-c]pyrimidines featuring morpholine moiety as PI3Ka inhibitors.

description: Small molecule binding data for protein PI3-kinase p110-alpha subunit, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide, Uniprot O00329, O00750, P32871, P42338, and P48736
DOI: 10.7270/q2tt4sdr
title: BindingDB Entry 50043461: Discovery of 2,8-diazaspiro[4.5]decane-based trisubstituted urea derivatives as highly potent soluble epoxide hydrolase inhibitors and orally active drug candidates for treating hypertension.

description: Small molecule binding data for protein Epoxide hydratase, Epoxide hydrolase 2, and Soluble epoxide hydrolase (sEH), Uniprot P34913, P34914, and P80299
DOI: 10.7270/q2x35072
title: BindingDB Entry 50046103: Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O95271, P09874, and Q9H2K2
DOI: 10.7270/q2zk5j31
title: BindingDB Entry 50043460: 2-Amino-6-chloro-3,4-dihydroquinazoline: A novel 5-HT3 receptor antagonist with antidepressant character.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Nicotinic acetylcholine receptor alpha2/beta2, Nicotinic acetylcholine receptor alpha2/beta4, Serotonin 3 (5-HT3) receptor, and Sigma-1 receptor, Uniprot P02708, P14416, P17787, P30926, P35367, P43681, P46098, and Q60492
DOI: 10.7270/q20k2b45
title: BindingDB Entry 50044617: The design and discovery of water soluble 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multitargeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P09619, and P35968
DOI: 10.7270/q20v8fjt
title: BindingDB Entry 50046110: Original 2-(3-Alkoxy-1H-pyrazol-1-yl)azines Inhibitors of Human Dihydroorotate Dehydrogenase (DHODH).

description: Small molecule binding data for protein Dihydroorotate dehydrogenase, Uniprot Q02127
DOI: 10.7270/q22b90gc
title: BindingDB Entry 50043467: Synthesis and assessment of catechol diether compounds as inhibitors of trypanosomal phosphodiesterase B1 (TbrPDEB1).

description: Small molecule binding data for protein Class I phosphodiesterase B1 (TbrPDEB1)
DOI: 10.7270/q24m968j
title: BindingDB Entry 50046109: Indoline ureas as potential anti-hepatocellular carcinoma agents targeting VEGFR-2: Synthesis, in vitro biological evaluation and molecular docking.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2639r58
title: BindingDB Entry 50043466: Novel N-methylsulfonamide and retro-N-methylsulfonamide derivatives as 17ß-hydroxysteroid dehydrogenase type 2 (17ß-HSD2) inhibitors with good ADME-related physicochemical parameters.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q28c9xz1
title: BindingDB Entry 50046108: New systematically modified vesamicol analogs and their affinity and selectivity for the vesicular acetylcholine transporter - A critical examination of the lead structure.

description: Small molecule binding data for protein OPIATE Sigma and Vesicular acetylcholine transporter, Uniprot P81721, Q62666, and Q9R0C9
DOI: 10.7270/q28s4rq2
title: BindingDB Entry 50046625: N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF.

description: Small molecule binding data for protein Deoxyribonuclease-1 and Flap endonuclease 1, Uniprot P24855 and P39748
DOI: 10.7270/q2bv7j69
title: BindingDB Entry 50044622: Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.

description: Small molecule binding data for protein Neurotrophic tyrosine kinase receptor, Uniprot P04629
DOI: 10.7270/q2cr5w25
title: BindingDB Entry 50045599: Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Alpha-2C adrenergic receptor, Cytochrome P450 3A, Dopamine receptor, Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, Nitric oxide synthase, brain, Nitric-oxide synthase, brain, and Sigma, Uniprot P08684, P08908, P18825, P28223, P29473, P29475, P29476, P29477, P35462, Q4W594, and Q99720
DOI: 10.7270/q2d2208c
title: BindingDB Entry 50045148: Bioactive diterpenoids and flavonoids from the aerial parts of Scoparia dulcis.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37238
DOI: 10.7270/q2dj5hfs
title: BindingDB Entry 50046624: Design, synthesis and biological evaluation of novel tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2gh9kjr
title: BindingDB Entry 50044621: Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2hh6msg
title: BindingDB Entry 50045598: Nintedanib: from discovery to the clinic.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P09619, P11362, P16234, P17948, P21802, P22455, P22607, P35916, P35918, and P35968
DOI: 10.7270/q2ht2r0d
title: BindingDB Entry 50045147: Indazole- and indole-5-carboxamides: selective and reversible monoamine oxidase B inhibitors with subnanomolar potency.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Monoamine Oxidase Type B (MAO-B), and Monoamine oxidase, Uniprot P19643, P21396, P21397, and P27338
DOI: 10.7270/q2hx1fdq
title: BindingDB Entry 50046106: Peptidomimeticß-Secretase Inhibitors Comprising a Sequence of Amyloid-ß Peptide for Alzheimer's Disease.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2j9686z
title: BindingDB Entry 50046623: Probing a 3,4'-bis-guanidinium diaryl derivative as an allosteric inhibitor of the Ras pathway.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q2m90b7k
title: BindingDB Entry 50044620: New insights into the biological properties of Crocus sativus L.: chemical modifications, human monoamine oxidases inhibition and molecular modeling studies.

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/q2n87ch6
title: BindingDB Entry 50045597: Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P04818
DOI: 10.7270/q2nk3gp8
title: BindingDB Entry 50045146: Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2p270ks
title: BindingDB Entry 50043470: TBA

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 1, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), MAP kinase ERK2, Mitogen-activated protein kinase kinase kinase 10, Mitogen-activated protein kinase kinase kinase 11, Mitogen-activated protein kinase kinase kinase 2, Mitogen-activated protein kinase kinase kinase 9 (MLK1), Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, Protein delta homolog 1, Rho-associated protein kinase, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-C, Serine/threonine-protein kinase Sgk1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, and Tyrosine-protein kinase receptor FLT3, Uniprot O00141, O14920, O14965, O15111, O75116, P00519, P04629, P06213, P06493, P08069, P08581, P10635, P11712, P28482, P36888, P43403, P43405, P80192, P80370, Q02779, Q13464, Q16584, Q16620, Q5S007, Q80XI6, Q96GD4, Q9UQB9, and Q9Y2U5
DOI: 10.7270/q2r212xf
title: BindingDB Entry 50044619: Endiandric acid analogues from Beilschmiedia ferruginea as dual inhibitors of Bcl-xL/Bak and Mcl-1/Bid interactions.

description: Small molecule binding data for protein Bcl-xL/BAK and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07817 and Q07820
DOI: 10.7270/q2s1846g
title: BindingDB Entry 50045596: In vivo phenotypic screening for treating chronic neuropathic pain: modification of C2-arylethynyl group of conformationally constrained A3 adenosine receptor agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), Adenosine A3 receptor, Adenosine receptor A3, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P05177, P08684, P0DMS8, P10635, P11712, P28335, P33261, P41595, Q12809, and Q61618
DOI: 10.7270/q2st7r9t
title: BindingDB Entry 50043469: Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P05177, P08684, P10635, P11712, P23458, P29597, P33261, and P52333
DOI: 10.7270/q2st7rn9
title: BindingDB Entry 50046621: Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF.

description: Small molecule binding data for protein Deoxyribonuclease-1 and Flap endonuclease 1, Uniprot P24855 and P39748
DOI: 10.7270/q2vt1tng
title: BindingDB Entry 50044618: Phenylalanine-Based Inactivator of AKT Kinase: Design, Synthesis, and Biological Evaluation.

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2ws8vx3
title: BindingDB Entry 50045595: N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Cholinesterase, Monoamine Oxidase Type B (MAO-B), and Monoamine oxidase, Uniprot P06276, P19643, P21396, P21397, P22303, and P27338
DOI: 10.7270/q2x068pj
title: BindingDB Entry 50045144: Synthesis and biological evaluation of 4-aza-2,3-dihydropyridophenanthrolines as tubulin polymerization inhibitors.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2xg9sxv
title: BindingDB Entry 50046620: Discovery of 4-arylamido 3-methyl isoxazole derivatives as novel FMS kinase inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, 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 2, 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, JAK3/JAK1, Macrophage colony stimulating factor receptor, Macrophage-stimulating protein receptor, Mitogen-activated protein kinase 3, Proto-oncogene tyrosine-protein kinase ROS, RAF serine/threonine protein kinase, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, and cAMP-dependent protein kinase catalytic subunit gamma, Uniprot O14965, O95067, O96020, P00533, P04049, P06493, P07333, P07948, P08069, P08581, P08922, P10721, P14635, P15056, P21802, P22607, P22612, P24864, P24941, P27361, P31749, P35968, P36888, P42345, P43405, P49841, P52333, P53350, Q02750, Q04912, Q05397, Q8WWL7, and Q9UM73
DOI: 10.7270/q2xk8h1j
title: BindingDB Entry 50043468: [(4-Hydroxyl-benzo[4,5]thieno[3,2-c]pyridine-3-carbonyl)-amino]-acetic acid derivatives; HIF prolyl 4-hydroxylase inhibitors as oral erythropoietin secretagogues.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q20k2b7h
title: BindingDB Entry 50045602: Repositioning proton pump inhibitors as anticancer drugs by targeting the thioesterase domain of human fatty acid synthase.

description: Small molecule binding data for protein Fatty acid synthase (FAS), Uniprot P49327
DOI: 10.7270/q20r9r2m
title: BindingDB Entry 50045151: Rexinoids isolated from Sophora tonkinensis with a gene expression profile distinct from the synthetic rexinoid bexarotene.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793