cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q29k4d4j
title: BindingDB Entry 50047254: Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, ALK tyrosine kinase receptor, AXL receptor tyrosine kinase, Activin receptor type-1, Cyclin-Dependent Kinase 4 (CDK4), Cyclin-dependent kinase 2, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, JAK2/TYK2, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, MAP kinase signal-integrating kinase 2, MAP kinase-activated protein kinase 2, MAP kinase-activated protein kinase 5, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 8, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 4-kinase, PI4K, Platelet-derived growth factor receptor, Protein kinase C alpha type, Protein kinase C theta type, Protein kinase N1, Protein kinase N2, Receptor tyrosine-protein kinase erbB-4 (HER4), Rho-associated protein kinase, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase CSK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, Voltage-gated potassium channel, and cAMP-dependent protein kinase (PKA), Uniprot O00329, O14965, O15530, O60674, O75116, P00519, P00533, P04626, P06213, P06239, P07948, P07949, P08069, P08581, P10721, P11362, P11802, P12931, P16234, P17252, P17612, P21802, P22455, P22607, P23458, P24385, P24941, P28482, P29597, P30530, P31749, P35968, P36888, P41240, P41279, P42336, P42338, P43403, P43405, P48736, P49137, P49841, P52333, P53350, P54760, P54764, Q04759, Q04771, Q06187, Q12809, Q15303, Q16512, Q16513, Q16539, Q541P7, Q8IW41, Q8NEB9, Q9HBH9, Q9UBF8, and Q9UM73
DOI: 10.7270/q2br8tzt
title: BindingDB Entry 50046209: Structure-based design ofß1i orß5i specific inhibitors of human immunoproteasomes.

description: Small molecule binding data for protein 26S proteosome, Proteasome subunit beta type-10, and Proteasome subunit beta type-9, Uniprot P28062, P28065, and P40306
DOI: 10.7270/q2d50pr6
title: BindingDB Entry 50046717: Navigating CYP1A Induction and Arylhydrocarbon Receptor Agonism in Drug Discovery. A Case History with S1P1 Agonists.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2fb54vv
title: BindingDB Entry 50047252: Identification of novel estrogen receptor (ER) agonists that have additional and complementary anti-cancer activities via ER-independent mechanism.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2gh9kq0
title: BindingDB Entry 50046208: Piperazine and piperidine carboxamides and carbamates as inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL).

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH) and Monoglyceride lipase, Uniprot O00519 and Q99685
DOI: 10.7270/q2h133qd
title: BindingDB Entry 50045691: Discovery of novel 2,5-dioxoimidazolidine-based P2X(7) receptor antagonists as constrained analogues of KN62.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572 and Q9Z1M0
DOI: 10.7270/q2k35wb2
title: BindingDB Entry 50045255: Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dual specificity protein kinase TTK, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk2, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, Serine/threonine-protein kinase PLK3, and Serine/threonine-protein kinase PLK4, Uniprot O00444, O14965, O96017, P05177, P08684, P10635, P11712, P33261, P33981, P53350, Q96GD4, Q9H4B4, and Q9NYY3
DOI: 10.7270/q2m61n1z
title: BindingDB Entry 50046207: Design, synthesis and evaluation of novel tacrine-(ß-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275, P22303, and P81908
DOI: 10.7270/q2ms3vff
title: BindingDB Entry 50045690: Discovery and development of Galeterone (TOK-001 or VN/124-1) for the treatment of all stages of prostate cancer.

description: Small molecule binding data for protein Androgen Receptor and Cytochrome P450 17A1, Uniprot P05093 and P10275
DOI: 10.7270/q2pv6n11
title: BindingDB Entry 50045254: Click approach to the discovery of 1,2,3-triazolylsalicylamides as potent Aurora kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein and Serine/threonine-protein kinase Aurora, Uniprot O14965 and Q96GD4
DOI: 10.7270/q2qj7jzg
title: BindingDB Entry 50045697: Structure-activity relationship of pyrrolyl diketo acid derivatives as dual inhibitors of HIV-1 integrase and reverse transcriptase ribonuclease H domain.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2qz2cqh
title: BindingDB Entry 50046205: Development of benzo[d]oxazol-2(3H)-ones derivatives as novel inhibitors of Mycobacterium tuberculosis InhA.

description: Small molecule binding data for protein Enoyl-[acyl-carrier-protein] reductase, Uniprot P9WGR1
DOI: 10.7270/q2tm7crb
title: BindingDB Entry 50045253: Design, synthesis and biological evaluation of thienopyridinones as Chk1 inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora and Serine/threonine-protein kinase Chk1, Uniprot O14757 and O14965
DOI: 10.7270/q2vq34f7
title: BindingDB Entry 50046204: Design, synthesis and biological evaluation of 4-anilinothieno[2,3-d]pyrimidine-based hydroxamic acid derivatives as novel histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, and Q9UBN7
DOI: 10.7270/q2x92d6h
title: BindingDB Entry 50047257: Disrupting Acetyl-Lysine Recognition: Progress in the Development of Bromodomain Inhibitors.

description: Small molecule binding data for protein Bromodomain and PHD finger-containing protein 3, Bromodomain-containing protein 1, Bromodomain-containing protein 4, Bromodomain-containing protein 9, CREB-binding protein/p53, Cat eye syndrome critical region protein 2, Nucleosome-remodeling factor subunit BPTF, Peregrin, Protein polybromo-1, and Transcription activator BRG1, Uniprot O60885, O95696, P04637, P51532, P55201, Q12830, Q86U86, Q92793, Q9BXF3, Q9H8M2, and Q9ULD4
DOI: 10.7270/q2028t7d
title: BindingDB Entry 50045695: Overcoming mutagenicity and ion channel activity: optimization of selective spleen tyrosine kinase inhibitors.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Proto-oncogene tyrosine-protein kinase ROS, Serine/threonine-protein kinase Chk2, Testis-specific serine/threonine-protein kinase 3, Tyrosine-protein kinase Blk, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, and Voltage-gated potassium channel, Uniprot O96017, P08922, P43403, P43405, P51451, Q12809, Q5S007, and Q96PN8
DOI: 10.7270/q2251kt4
title: BindingDB Entry 50045259: Antinociceptive and antidepressant-like action of endomorphin-2 analogs with proline surrogates in position 2.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q2377bg1
title: BindingDB Entry 50046211: N-aryl-2-aminobenzimidazoles: novel, efficacious, antimalarial lead compounds.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q24t6m70
title: BindingDB Entry 50047263: Computational Tools To Model Halogen Bonds in Medicinal Chemistry.

description: Small molecule binding data for protein Casein Kinase II, Uniprot P68400
DOI: 10.7270/q25x2bk0
title: BindingDB Entry 50045258: Amine substitution of quinazolinones leads to selective nanomolar AChE inhibitors with 'inverted' binding mode.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Histamine receptor (H3), Uniprot O42275, P22303, P81908, and Q9Y5N1
DOI: 10.7270/q26m38j9
title: BindingDB Entry 50045701: PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS.

description: Small molecule binding data for protein Histone acetyltransferase GCN5 and Histone acetyltransferase p300, Uniprot Q03330 and Q09472
DOI: 10.7270/q27d2wz0
title: BindingDB Entry 50046726: Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), Glycogen synthase kinase-3, Macrophage colony stimulating factor receptor, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 10, Mitogen-activated protein kinase kinase kinase 11, Mitogen-activated protein kinase kinase kinase 12, Mitogen-activated protein kinase kinase kinase 9, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, and c-Jun N-terminal kinase, JNK, Uniprot O14733, P04629, P07333, P10721, P12931, P36888, P45983, P45984, P45985, P49841, P53779, P80192, Q02779, Q12852, Q16584, and Q16620
DOI: 10.7270/q28k7bz9
title: BindingDB Entry 50047262: Design and synthesis of novel benzo[d]oxazol-2(3H)-one derivatives bearing 7-substituted-4-enthoxyquinoline moieties as c-Met kinase inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q29p339q
title: BindingDB Entry 50045257: Design of granulatimide and isogranulatimide analogues as potential Chk1 inhibitors: Study of amino-platforms for their synthesis.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2bc4181
title: BindingDB Entry 50045700: Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents.

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, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine receptor, Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P08908, P08913, P18089, P18825, P28223, P28335, P34969, P35462, P41595, P50406, Q12809, and Q4W594
DOI: 10.7270/q2c53npq
title: BindingDB Entry 50046725: Synthesis of Fluorine-Containing Phosphodiesterase 10A (PDE10A) Inhibitors and the In Vivo Evaluation of F-18 Labeled PDE10A PET Tracers in Rodent and Nonhuman Primate.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot P27815, Q07343, Q13370, Q14432, and Q9Y233
DOI: 10.7270/q2db83rx
title: BindingDB Entry 50047261: Rational modification of the lead molecule: Enhancement in the anticancer and dihydrofolate reductase inhibitory activity.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2ff3v0m
title: BindingDB Entry 50045256: Synthesis and binding profile of haloperidol-based bivalent ligands targeting dopamine D(2)-like receptors.

description: Small molecule binding data for protein Dopamine D1 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21917, P35462, and P50130
DOI: 10.7270/q2gx4dcp
title: BindingDB Entry 50046724: Identification of a molecular target of kurahyne, an apoptosis-inducing lipopeptide from marine cyanobacterial assemblages.

description: Small molecule binding data for protein Tumor necrosis factor ligand superfamily member 11, Uniprot O35235
DOI: 10.7270/q2j38vg8
title: BindingDB Entry 50047260: Development and Characterization of Novel and Selective Inhibitors of Cytochrome P450 CYP26A1, the Human Liver Retinoic Acid Hydroxylase.

description: Small molecule binding data for protein Cytochrome CYP26A1, Cytochrome P450 26B1, and Cytochrome P450 3A, Uniprot O43174, P08684, and Q9NR63
DOI: 10.7270/q2k9398f
title: BindingDB Entry 50046215: Discovery of highly potent TNFa inhibitors using virtual screen.

description: Small molecule binding data for protein Tumor necrosis factor (TNF-alpha), Uniprot P01375
DOI: 10.7270/q2ks6t75
title: BindingDB Entry 50045698: Synthesis of xanthohumol analogues and discovery of potent thioredoxin reductase inhibitor as potential anticancer agent.

description: Small molecule binding data for protein Thioredoxin reductase 3, Uniprot Q86VQ6
DOI: 10.7270/q2mk6fq4
title: BindingDB Entry 50046723: Development of Novel, CNS Penetrant Positive Allosteric Modulators for the Metabotropic Glutamate Receptor Subtype 1 (mGlu1), Based on an N-(3-Chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl)-3-methylfuran-2-carboxamide Scaffold, That Potentiate Wild Type and Mutant mGlu1 Receptors Found in Schizophrenics

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 4 (mGluR4), and metabotropic glutamate 1/2, Uniprot P05177, P08684, P10635, P11712, P23385, Q13255, and Q14833
DOI: 10.7270/q2nv9m57
title: BindingDB Entry 50047259: Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrinaIIbß3.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2pz5bk4
title: BindingDB Entry 50046214: Structural manipulation on the catecholic fragment of dopamine D(1) receptor agonist 1-phenyl-N-methyl-benzazepines.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin (5-HT) receptor, Uniprot P14416, P19327, P21728, P28223, and P35462
DOI: 10.7270/q2rb76dd
title: BindingDB Entry 50046722: Design, synthesis and biological evaluation of 3-aryl-rhodanine benzoic acids as anti-apoptotic protein Bcl-2 inhibitors.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2sn0bmh
title: BindingDB Entry 50045261: Pim kinase inhibitors for the treatment of cancer and possibly more.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309
DOI: 10.7270/q2sn0bvn
title: BindingDB Entry 50047258: Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.

description: Small molecule binding data for protein Cytochrome P450 3A and Hepatocyte growth factor receptor, Uniprot P08581 and P08684
DOI: 10.7270/q2tq638d
title: BindingDB Entry 50046213: Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation.

description: Small molecule binding data for protein Ephrin type-A receptor 3 (EPHA3) and Ephrin type-B receptor 4 (EphB4), Uniprot P29320, P54760, and Q541P7
DOI: 10.7270/q2v989r3
title: BindingDB Entry 50045696: Novel arylalkenylpropargylamines as neuroprotective, potent, and selective monoamine oxidase B inhibitors for the treatment of Parkinson's disease.

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/q2w37z4r
title: BindingDB Entry 50046721: Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763 and P11497
DOI: 10.7270/q2xd139s
title: BindingDB Entry 50045260: Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase EEF2K, Uniprot O00418
DOI: 10.7270/q2zc84hh
title: BindingDB Entry 50045252: Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2zg6v0r
title: BindingDB Entry 50046212: Optimization of potent DFG-in inhibitors of platelet derived growth factor receptorß (PDGF-Rß) guided by water thermodynamics.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, Casein Kinase II, Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, Mitogen-activated protein kinase kinase kinase 8, NUAK family SNF1-like kinase 1, Platelet-derived growth factor receptor beta, Pyruvate kinase, RAF serine/threonine protein kinase, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK4, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O00444, O14965, O60285, P00533, P04626, P06213, P08069, P08581, P09619, P10721, P11802, P12931, P15056, P20248, P24385, P24941, P31749, P35916, P35968, P36888, P41279, P53350, P54760, P68400, Q02763, Q05397, Q541P7, Q6GG09, and Q96GD4
DOI: 10.7270/q2125vj1
title: BindingDB Entry 50047265: Discovery of a Potent and Orally Efficacious TGR5 Receptor Agonist.

description: Small molecule binding data for protein Bile acid receptor FXR and G-protein coupled bile acid receptor 1, Uniprot Q80SS6, Q8TDU6, and Q96RI1
DOI: 10.7270/q2154jpr
title: BindingDB Entry 50045269: Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P10635, P23975, P31645, Q01959, and Q12809
DOI: 10.7270/q22809b6
title: BindingDB Entry 50046219: Design, synthesis and evaluation of rivastigmine and curcumin hybrids as site-activated multitarget-directed ligands for Alzheimer's disease therapy.

description: Small molecule binding data for protein Acetylcholinesterase and Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P37136
DOI: 10.7270/q22v2htk
title: BindingDB Entry 50045702: Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors.

description: Small molecule binding data for protein Aldehyde dehydrogenase (ALDH2), Aldehyde dehydrogenase 1A1 (ALDH1A1), Aldehyde dehydrogenase 3A1 (ALDH3A1), Aldehyde dehydrogenase X, mitochondrial, Aldehyde dehydrogenase family 1 member A3, and Retinal dehydrogenase 2, Uniprot O94788, P00352, P05091, P30837, P30838, and P47895
DOI: 10.7270/q23n256m
title: BindingDB Entry 50046727: 5-Lipoxygenase inhibitors suppress RANKL-induced osteoclast formation via NFATc1 expression.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase and Tumor necrosis factor ligand superfamily member 11, Uniprot O35235 and P48999
DOI: 10.7270/q24x59fm
title: BindingDB Entry 50045267: Therapeutic potential of targeting the oncogenic SHP2 phosphatase.

description: Small molecule binding data for protein CTD phosphatase SSU72, Dual specificity protein phosphatase (VHR), Dual specificity protein phosphatase 23 (VHZ), Dual specificity protein phosphatase CDC14A, Hematopoietic protein-tyrosine phosphatase (HEPTP), Laforin, Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Mitogen-activated protein kinase phosphatase 5 (MKP5), Nuclear proteasome inhibitor UBLCP1, Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase alpha, Protein-tyrosine phosphatase pez, Receptor-type tyrosine-protein phosphatase S, Receptor-type tyrosine-protein phosphatase epsilon (PTPε), Receptor-type tyrosine-protein phosphatase gamma (PTPγ), Receptor-type tyrosine-protein phosphatase mu (PTPμ), Tyrosine-protein phosphatase non-receptor type 22, Tyrosine-protein phosphatase non-receptor type 3 (PTPH1), and tyrosine-protein phosphatase non-receptor type 5 isoform a, Uniprot O95278, P18031, P18433, P23469, P23470, P24666, P26045, P28827, P29350, P35236, P51452, P54829, Q06124, Q13332, Q15678, Q8WVY7, Q9BVJ7, Q9NP77, Q9UNH5, Q9Y2R2, and Q9Y6W6
DOI: 10.7270/q261122x
title: BindingDB Entry 50046218: Discovery of novel pyrimidine and malonamide derivatives as TGR5 agonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and G-protein coupled bile acid receptor 1, Uniprot P05177, P08684, P10635, P11712, P33261, and Q8TDU6
DOI: 10.7270/q29s1ssj
title: BindingDB Entry 50046217: Synthesis and biological evaluation of thienopyrimidine derivatives as GPR119 agonists.

description: Small molecule binding data for protein Cytochrome P450 2C9 and G-protein coupled receptor 119 (GPR119), Uniprot P11712 and Q8TDV5