cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2959mpz
title: BindingDB Entry 9748: Treatment and diagnosis of melanoma

description: Small molecule binding data for protein Oxysterols receptor LXR-alpha and Oxysterols receptor LXR-beta, Uniprot P55055 and Q13133
DOI: 10.7270/q2959mqd
title: BindingDB Entry 9926: Type of aryl benzofuran amidated derivative and medical use thereof

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P47989
DOI: 10.7270/q2959mrv
title: BindingDB Entry 10135: Benzimidazole derivatives, preparation methods and uses thereof

description: Small molecule binding data for protein Cyclin-A2 [177-432]/Cyclin-dependent kinase 2, Cyclin-H/Cyclin-dependent kinase 7, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B, Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/6, and Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, Uniprot O60563, P11802, P15206, P20248, P24864, P24941, P30281, P50613, P50750, P51946, Q00534, and Q9DGD3
DOI: 10.7270/q2959ms9
title: BindingDB Entry 10522: Substituted piperazines as KRAS G12C inhibitors

description: Small molecule binding data for protein GTPase KRas [1-169,G12C,C118A], Uniprot P01116
DOI: 10.7270/q2959mtr
title: BindingDB Entry 10909: Mcl-1 inhibitors and methods of use thereof

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327], Uniprot Q07820
DOI: 10.7270/q2959mv6
title: BindingDB Entry 50007196: Diaryl hydroxylamines as pan or dual inhibitors of indoleamine 2,3-dioxygenase-1, indoleamine 2,3-dioxygenase-2 and tryptophan dioxygenase.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Indoleamine 2,3-dioxygenase 2, and Tryptophan 2,3-dioxygenase, Uniprot P14902, P48775, Q6ZQW0, and Q8R0V5
DOI: 10.7270/q2959mwn
title: BindingDB Entry 50007812: Emerging and Re-Emerging Warheads for Targeted Covalent Inhibitors: Applications in Medicinal Chemistry and Chemical Biology.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cyclin-A2/Cyclin-dependent kinase 2, Epidermal growth factor receptor, Fibroblast growth factor receptor 4, Induced myeloid leukemia cell differentiation protein Mcl-1, Methionine aminopeptidase 2, Methylated-DNA--protein-cysteine methyltransferase, Non-receptor tyrosine-protein kinase TYK2, Peptidyl-prolyl cis-trans isomerase FKBP1A, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, SRSF protein kinase 1, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and m7GpppX diphosphatase, Uniprot O00329, O60674, P00533, P04626, P16455, P20248, P22455, P23458, P24941, P29597, P50579, P52333, P53350, P62942, Q03142, Q06187, Q07820, Q15303, Q96C86, Q96SB4, and Q9UM73
DOI: 10.7270/q2959mx3
title: BindingDB Entry 50008142: Design, synthesis and evaluation of 2-amino-imidazol-4-one derivatives as potent β-site amyloid precursor protein cleaving enzyme 1 (BACE-1) inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2959mzj
title: BindingDB Entry 50008413: Synthesis and Structure-Activity Relationship Correlations of Gnidimacrin Derivatives as Potent HIV-1 Inhibitors and HIV Latency Reversing Agents.

description: Small molecule binding data for protein O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139, Uniprot O94806, P05129, P05771, P17252, P24723, P41743, Q02156, Q04759, Q05513, Q05655, and Q15139
DOI: 10.7270/q2959n0d
title: BindingDB Entry 50008789: A novel, potent, and orally bioavailable thiazole HCV NS5A inhibitor for the treatment of hepatitis C virus.

description: Small molecule binding data for protein Nonstructural protein 5A, Uniprot Q5L478
DOI: 10.7270/q2959n1v
title: BindingDB Entry 50009408: Role of sulphur-heterocycles in medicinal chemistry: An update.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Large neutral amino acids transporter small subunit 1, Peroxisome proliferator-activated receptor gamma, Polyunsaturated fatty acid 5-lipoxygenase, Probable maltase-glucoamylase 2, and Prostaglandin G/H synthase 2, Uniprot P08253, P09917, P35354, P37231, Q01650, and Q2M2H8
DOI: 10.7270/q2959n29
title: BindingDB Entry 50010017: Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q2959n3r
title: BindingDB Entry 50010575: Antimycobacterial Rufomycin Analogues from

description: Small molecule binding data for protein ATP-dependent Clp protease ATP-binding subunit ClpC1, Uniprot P9WPC9
DOI: 10.7270/q2959n46
title: BindingDB Entry 50011220: Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.

description: Small molecule binding data for protein Gag-Pol polyprotein [489-587] and Protease, Uniprot P04585 and Q9YQ12
DOI: 10.7270/q2959n5n
title: BindingDB Entry 50011562: Azepino-indazoles as calcitonin gene-related peptide (CGRP) receptor antagonists.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q2959n63
title: BindingDB Entry 50011845: Discovery of aryl-piperidine derivatives as potential antipsychotic agents using molecular hybridization strategy.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, and D(2) dopamine receptor, Uniprot P08908, P14416, and P28223
DOI: 10.7270/q2959n7j
title: BindingDB Entry 50012177: Synthesis and structure-activity relationship of coumarins as potent Mcl-1 inhibitors for cancer treatment.

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2959n80
title: BindingDB Entry 50012799: The transcriptional repressor REV-ERB as a novel target for disease.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group D member 1, Uniprot P20393
DOI: 10.7270/q2959n9f
title: BindingDB Entry 50013456: Convenient Retinoid X Receptor Binding Assay Based on Fluorescence Change of the Antagonist NEt-C343.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Uniprot P19793
DOI: 10.7270/q2959nbw
title: BindingDB Entry 50014101: HTS-based discovery and optimization of novel positive allosteric modulators of the α7 nicotinic acetylcholine receptor.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P36544 and P40989
DOI: 10.7270/q2959ncb
title: BindingDB Entry 50014456: From triazolophthalazines to triazoloquinazolines: A bioisosterism-guided approach toward the identification of novel PCAF inhibitors with potential anticancer activity.

description: Small molecule binding data for protein Epidermal growth factor receptor and Histone acetyltransferase KAT2B, Uniprot P00533 and Q92831
DOI: 10.7270/q2988b27
title: BindingDB Entry 9330: 6-(5-membered heteroaryl)isoquinolin-3-yl-(5-membered heteroaryl) carboxamides and preparation and use thereof

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A and Glycogen synthase kinase-3 beta, Uniprot P49841 and Q13627
DOI: 10.7270/q2988b3p
title: BindingDB Entry 9717: Intermediate compound of novel tetrahydronaphthyl urea derivative

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Uniprot P04629
DOI: 10.7270/q2988b44
title: BindingDB Entry 10104: Monosaccharide amine and 3-nitro-2-phenyl-2H-chromene based inhibitors of glucose kinases

description: Small molecule binding data for protein Glucokinase 1, putative, Uniprot Q4E4E1
DOI: 10.7270/q2988b5k
title: BindingDB Entry 10313: Substituted [1,2,4]triazolo[1,5-a]pyrimidin-7-yl compounds as PDE2 inhibitors

description: Small molecule binding data for protein cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot O00408
DOI: 10.7270/q2988b61
title: BindingDB Entry 10491: 19-NOR neuroactive steroids and methods of use thereof

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2, Uniprot P14867, P18507, P47870, and P62813
DOI: 10.7270/q2988b7g
title: BindingDB Entry 10700: Heterocyclic compounds useful as aurora a selective inhibitors

description: Small molecule binding data for protein Aurora kinase A and Aurora kinase B, Uniprot O14965 and Q96GD4
DOI: 10.7270/q2988b8x
title: BindingDB Entry 10878: Cyclic di-nucleotide compounds as sting agonists

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q86WV6
DOI: 10.7270/q2988b9c
title: BindingDB Entry 50006879: New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: Design, synthesis, cytotoxicity evaluation and in silico studies.

description: Small molecule binding data for protein Epidermal growth factor receptor, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot P00533, P05979, and P35354
DOI: 10.7270/q2988bbt
title: BindingDB Entry 50007489: Design, synthesis, and biological evaluation of novel pyrrolo[1,2-a]pyrazine derivatives.

description: Small molecule binding data for protein Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha, Uniprot P49354 and P49356
DOI: 10.7270/q2988bc8
title: BindingDB Entry 50008097: Novel multi target-directed ligands targeting 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4 and Acetylcholinesterase, Uniprot P22303 and Q13639
DOI: 10.7270/q2988bdq
title: BindingDB Entry 50008724: Inhibition of polypeptide N-acetyl-α-galactosaminyltransferases is an underlying mechanism of dietary polyphenols preventing colorectal tumorigenesis.

description: Small molecule binding data for protein Polypeptide N-acetylgalactosaminyltransferase 1, Polypeptide N-acetylgalactosaminyltransferase 10, Polypeptide N-acetylgalactosaminyltransferase 13, Polypeptide N-acetylgalactosaminyltransferase 14, Polypeptide N-acetylgalactosaminyltransferase 2, Polypeptide N-acetylgalactosaminyltransferase 3, Polypeptide N-acetylgalactosaminyltransferase 6, and UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, Uniprot O15294, Q10471, Q10472, Q14435, Q86SR1, Q8IUC8, Q8NCL4, and Q96FL9
DOI: 10.7270/q2988bf5
title: BindingDB Entry 50009069: Mechanisms of Specific versus Nonspecific Interactions of Aggregation-Prone Inhibitors and Attenuators.

description: Small molecule binding data for protein Albumin and Rap guanine nucleotide exchange factor 3, Uniprot O95398 and P02768
DOI: 10.7270/q2988bgm
title: BindingDB Entry 50009357: Both d- and l-Glucose Polyphosphates Mimic d-

description: Small molecule binding data for protein Inositol 1,4,5-trisphosphate receptor type 1, Uniprot P29994
DOI: 10.7270/q2988bh2
title: BindingDB Entry 50009693: Uncarialins A-I, Monoterpenoid Indole Alkaloids from

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Uniprot P08908
DOI: 10.7270/q2988bjh
title: BindingDB Entry 50010271: 1,2,4-Triazolo[1,5-a]pyrimidines in drug design.

description: Small molecule binding data for protein Acetylcholinesterase, Dihydroorotate dehydrogenase (quinone), mitochondrial, and Fatty acid-binding protein, adipocyte, Uniprot O42275, P15090, and Q02127
DOI: 10.7270/q2988bkz
title: BindingDB Entry 50010881: Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ.

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, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2988bmd
title: BindingDB Entry 50011515: Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.

description: Small molecule binding data for protein N-lysine methyltransferase KMT5A, Uniprot Q9NQR1
DOI: 10.7270/q2988bnv
title: BindingDB Entry 50012136: 5-Phenyl-1,3,4-oxadiazol-2(3

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Palmitoleoyl-protein carboxylesterase NOTUM, Uniprot P05177, P08684, P10635, P11712, P33261, and Q6P988
DOI: 10.7270/q2988bp9
title: BindingDB Entry 50012463: Development of Fluorescence Imaging Probes for Labeling COX-1 in Live Ovarian Cancer Cells.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979, P23219, and P35354
DOI: 10.7270/q2988bqr
title: BindingDB Entry 50012752: Bisphosphonate esters interact with HMG-CoA reductase membrane domain to induce its degradation.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Uniprot P04035
DOI: 10.7270/q2988br6
title: BindingDB Entry 50013120: Discovery of a true bivalent dopamine D

description: Small molecule binding data for protein D(2) dopamine receptor, Uniprot P14416
DOI: 10.7270/q2988bsn
title: BindingDB Entry 50013756: Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.

description: Small molecule binding data for protein Sphingomyelin phosphodiesterase, Uniprot P17405
DOI: 10.7270/q2988bt3
title: BindingDB Entry 50014401: Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase FKBP1A, Peptidyl-prolyl cis-trans isomerase FKBP1B, Peptidyl-prolyl cis-trans isomerase FKBP4, and Peptidyl-prolyl cis-trans isomerase FKBP5, Uniprot P62942, P68106, Q02790, and Q13451
DOI: 10.7270/q29c71f3
title: BindingDB Entry 9121: Compounds and methods for inhibiting JAK

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1 [866-1154], Tyrosine-protein kinase JAK2 [831-1132], and Tyrosine-protein kinase JAK3 [781-1124], Uniprot O60674, P23458, and P52333
DOI: 10.7270/q29c71gj
title: BindingDB Entry 9299: Scaffolds and multifunctional intermediates for imaging PSMA and cancer therapy

description: Small molecule binding data for protein Glutamate carboxypeptidase 2, Uniprot Q04609
DOI: 10.7270/q29c71h0
title: BindingDB Entry 9508: Neprilysin inhibitors

description: Small molecule binding data for protein Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1, Uniprot P12821 and Q92979
DOI: 10.7270/q29c71kw
title: BindingDB Entry 10282: Thienopyridine inhibitors of RIPK2

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 2, Uniprot O43353
DOI: 10.7270/q29c71mb
title: BindingDB Entry 10669: Substituted dihydrothienopyrimidines and their use as phosphodiesterase inhibitors

description: Small molecule binding data for protein Tumor necrosis factor and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P01375 and Q08499
DOI: 10.7270/q29c71ns
title: BindingDB Entry 50006841: Design and synthesis of selective CYP1B1 inhibitor via dearomatization of α-naphthoflavone.

description: Small molecule binding data for protein Cytochrome P450 1A1, Cytochrome P450 1A2, and Cytochrome P450 1B1, Uniprot P04798, P05177, and Q16678
DOI: 10.7270/q29c71p7
title: BindingDB Entry 50007153: Synthesis of novel 2-(1-adamantanylcarboxamido)thiophene derivatives. Selective cannabinoid type 2 (CB2) receptor agonists as potential agents for the treatment of skin inflammatory disease.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q29c71qp
title: BindingDB Entry 50007441: Polypropionate Derivatives with

description: Small molecule binding data for protein TYR_PHOSPHATASE_2 domain-containing protein, Uniprot P96830
DOI: 10.7270/q29c71r4
title: BindingDB Entry 50007769: Recent progress on the discovery of P2Y

description: Small molecule binding data for protein P2Y purinoceptor 14, Uniprot Q15391 and Q9ESG6
DOI: 10.7270/q29c71sk
title: BindingDB Entry 50008364: Identification of fluorinated (R)-(-)-aporphine derivatives as potent and selective ligands at serotonin 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, and 5-hydroxytryptamine receptor 2C, Uniprot P28223, P28335, and P41595
DOI: 10.7270/q29c71t1
title: BindingDB Entry 50009020: Pyridinylimidazoles as dual glycogen synthase kinase 3β/p38α mitogen-activated protein kinase inhibitors.

description: Small molecule binding data for protein Glycogen synthase kinase-3 alpha, Glycogen synthase kinase-3 beta, and Mitogen-activated protein kinase 14, Uniprot P49840, P49841, and Q16539
DOI: 10.7270/q29c71vg
title: BindingDB Entry 50009642: Trifluorinated Pyrimidine-Based A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q29c71wx
title: BindingDB Entry 50009975: Synthesis and biological evaluation of santacruzamate A analogues for anti-proliferative and immunomodulatory activity.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q29c71xc
title: BindingDB Entry 50010228: Development of a Series of (1-Benzyl-3-(6-methoxypyrimidin-3-yl)-5-(trifluoromethoxy)-1H-indol-2-yl)methanols as Selective Protease Activated Receptor 4 (PAR4) Antagonists with in Vivo Utility and Activity Against γ-Thrombin.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Proteinase-activated receptor 1, and Proteinase-activated receptor 4, Uniprot P05177, P08684, P10635, P11712, P25116, and Q96RI0
DOI: 10.7270/q29c71zt
title: BindingDB Entry 50010537: Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with Favorable Pharmacokinetic Properties and Promising Efficacy in Monotherapy and in Combination Treatments in Preclinical Tumor Models.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cyclin-G-associated kinase, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 3A4, DNA-dependent protein kinase catalytic subunit, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Serine-protein kinase ATM, Serine/threonine-protein kinase ATR, Serine/threonine-protein kinase RIO2, and Serine/threonine-protein kinase mTOR, Uniprot O14976, P08684, P10632, P11712, P40989, P42338, P42345, P78527, Q13315, Q13535, and Q9BVS4
DOI: 10.7270/q29c720p
title: BindingDB Entry 50010829: Identification of a new class of non-electrophilic TRPA1 agonists by a structure-based virtual screening approach.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q29c7214
title: BindingDB Entry 50011162: Novel pyridone EP

description: Small molecule binding data for protein Prostaglandin E2 receptor EP1 subtype, Prostaglandin E2 receptor EP2 subtype, Prostaglandin E2 receptor EP3 subtype, and Prostaglandin E2 receptor EP4 subtype, Uniprot P34995, P35408, P43115, and P43116
DOI: 10.7270/q29c722k
title: BindingDB Entry 50011792: Design, synthesis and biological evaluation of novel pyrazole sulfonamide derivatives as dual COX-2/5-LOX inhibitors.

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot P09917, P23219, and P35354
DOI: 10.7270/q29c7231
title: BindingDB Entry 50012413: Design and synthesis of a monocyclic derivative as a selective ACC1 inhibitor by chemical modification of biphenyl ACC1/2 dual inhibitors.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 and Acetyl-CoA carboxylase 2, Uniprot O00763 and Q13085
DOI: 10.7270/q29c724g
title: BindingDB Entry 50013050: Targeting nuclear protein TDP-43 by cell division cycle kinase 7 inhibitors: A new therapeutic approach for amyotrophic lateral sclerosis.

description: Small molecule binding data for protein Cell division cycle 7-related protein kinase/Protein DBF4 homolog A, Uniprot O00311 and Q9UBU7
DOI: 10.7270/q29c725x
title: BindingDB Entry 50013412: Pyrrolo[2,3-d]pyrimidine derivatives as inhibitors of RET: Design, synthesis and biological evaluation.

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, Epidermal growth factor receptor, Macrophage colony-stimulating factor 1 receptor, Mitogen-activated protein kinase kinase kinase 14, Mitogen-activated protein kinase kinase kinase kinase 4, Proto-oncogene tyrosine-protein kinase receptor Ret, and Serine/threonine-protein kinase Nek2, Uniprot O14965, O95819, P00533, P07333, P07949, P51955, Q96GD4, and Q99558
DOI: 10.7270/q29c726c
title: BindingDB Entry 50013712: New dual 5-HT1A and 5-HT7 receptor ligands derived from SYA16263.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 7, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, and Sodium-dependent serotonin transporter, Uniprot P08908, P14416, P21917, P28223, P28335, P31645, P34969, and P35462
DOI: 10.7270/q29c727t
title: BindingDB Entry 50014043: The Potential of c-KIT Kinase inhibitors in Cancer Treatment.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit, Uniprot P10721
DOI: 10.7270/q29c7288
title: BindingDB Entry 50014701: Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).

description: Small molecule binding data for protein Adenomatous polyposis coli protein, Coagulation factor X, Coagulation factor XII, Complement C1s subcomponent, Plasma kallikrein, Plasminogen, Prothrombin, Serine protease 1/Trypsin-2/Trypsin-3, and Tissue-type plasminogen activator, Uniprot P00734, P00742, P00747, P00748, P00750, P03952, P07477, P07478, P09871, P25054, and P35030
DOI: 10.7270/q29g5qv1
title: BindingDB Entry 9090: CARM1 inhibitors and uses thereof

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Uniprot Q86X55
DOI: 10.7270/q29g5qwg
title: BindingDB Entry 9477: Fused pyrimidine compound or salt thereof

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret, Proto-oncogene tyrosine-protein kinase receptor Ret [V804L], and Proto-oncogene tyrosine-protein kinase receptor Ret [V804M], Uniprot P07949
DOI: 10.7270/q29g5qxx
title: BindingDB Entry 9686: Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502