cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2q24205
title: BindingDB Entry 50046405: Discovery, design, and synthesis of indole-based EZH2 inhibitors.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH2, Uniprot Q15910
DOI: 10.7270/q2qf8vqd
title: BindingDB Entry 50046908: Characterization of isobutylhydroxyamides with NGF-potentiating activity from Zanthoxylum bungeanum.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2tf002f
title: BindingDB Entry 50045882: Is RK-682 a promiscuous enzyme inhibitor? Synthesis and in vitro evaluation of protein tyrosine phosphatase inhibition of racemic RK-682 and analogues.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), and Protein-tyrosine phosphatase 1B, Uniprot P18031, P24666, and P30305
DOI: 10.7270/q2tt4sqs
title: BindingDB Entry 50046404: Synthesis of novel triazoles and a tetrazole of escitalopram as cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2v126rt
title: BindingDB Entry 50047935: Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors.

description: Small molecule binding data for protein TNNI3K, Uniprot Q59H18
DOI: 10.7270/q2v69mf4
title: BindingDB Entry 50046907: Straightforward and effective synthesis of¿-aminobutyric acid transporter subtype 2-selective acyl-substituted azaspiro[4.5]decanes.

description: Small molecule binding data for protein GABA transporter and GABA transporter 1, Uniprot P23978, P31649, P31650, and P31651
DOI: 10.7270/q2z60qsc
title: BindingDB Entry 50045881: a-Substituted 2-(3-fluoro-4-methylsulfonamidophenyl)acetamides as potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2zk5jfh
title: BindingDB Entry 50046403: Further optimization of the mGlu5 PAM clinical candidate VU0409551/JNJ-46778212: Progress and challenges towards a back-up compound.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Metabotropic glutamate receptor 5, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P41594, and Q12809
DOI: 10.7270/q21z464c
title: BindingDB Entry 50045888: Synthesis and studies on the mGluR agonist activity of FAP4 stereoisomers.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 6 (mGlu6), Metabotropic glutamate receptor 7 (mGlu7), Metabotropic glutamate receptor 8 (mGlu8), and metabotropic glutamate 1/2, Uniprot P23385, P31423, P31424, P35349, P35400, P70579, and Q14416
DOI: 10.7270/q2251m34
title: BindingDB Entry 50047436: Design, synthesis and in vitro biological evaluation of a small cyclic peptide as inhibitor of vascular endothelial growth factor binding to neuropilin-1.

description: Small molecule binding data for protein Neuropilin-1, Uniprot Q9QWJ9
DOI: 10.7270/q22b90tv
title: BindingDB Entry 50046410: Discovery of new acetylcholinesterase inhibitors with small core structures through shape-based virtual screening.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q22r3thm
title: BindingDB Entry 50046913: 5,7-Disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazines as pharmacological tools to explore the antagonist selectivity profiles toward adenosine receptors.

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/q25q4xtv
title: BindingDB Entry 50045887: Discovery of bisamide-heterocycles as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake.

description: Small molecule binding data for protein Scavenger receptor class B member 1, Uniprot Q61009
DOI: 10.7270/q2639rj6
title: BindingDB Entry 50046409: Identification of 2-[2-(4-tert-butylphenyl)ethyl]-N-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide (29) as an orally available MGAT2 inhibitor.

description: Small molecule binding data for protein 2-acylglycerol O-acyltransferase 2 and Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2), Uniprot Q3SYC2 and Q80W94
DOI: 10.7270/q2930w5f
title: BindingDB Entry 50047947: Polyprenylated Benzoylphloroglucinols with DNA Polymerase Inhibitory Activity from the Fruits of Garcinia schomburgkiana.

description: Small molecule binding data for protein DNA polymerase lambda, Uniprot Q9UGP5
DOI: 10.7270/q29g5pjk
title: BindingDB Entry 50045886: Synthesis and evaluation of constrained phosphoramidate inhibitors of prostate-specific membrane antigen.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q29p33k9
title: BindingDB Entry 50047434: Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2.

description: Small molecule binding data for protein Cytochrome P450 1A and Microtubule-associated protein 2, Uniprot P05177 and P11137
DOI: 10.7270/q29w0h9m
title: BindingDB Entry 50046408: Discovery of substituted (4-phenyl-1H-imidazol-2-yl)methanamine as potent somatostatin receptor 3 agonists.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P32745
DOI: 10.7270/q2b859zn
title: BindingDB Entry 50046911: Diarylthiophenes as inhibitors of the pore-forming protein perforin.

description: Small molecule binding data for protein Perforin-1, Uniprot P14222
DOI: 10.7270/q2dv1mwf
title: BindingDB Entry 50047946: Discovery and Rational Design of Natural-Product-Derived 2-Phenyl-3,4-dihydro-2H-benzo[f]chromen-3-amine Analogs as Novel and Potent Dipeptidyl Peptidase 4 (DPP-4) Inhibitors for the Treatment of Type 2 Diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2f76f89
title: BindingDB Entry 50045885: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, and P11712
DOI: 10.7270/q2fn180w
title: BindingDB Entry 50046407: Hybrid pyrimidine alkynyls inhibit the clinically resistance related Bcr-Abl(T315I) mutant.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519 and P11274
DOI: 10.7270/q2jm2cm5
title: BindingDB Entry 50047945: Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.

description: Small molecule binding data for protein Aurora B/Incenp, Aurora kinase A/B, Aurora kinase A/Targeting protein for Xklp2, Death-associated protein kinase 2, Macrophage colony stimulating factor receptor, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma, SPS1/STE20-related protein kinase YSK4, and Serine/threonine-protein kinase Aurora-C, Uniprot O14965, P07333, P48736, Q56UN5, Q8TBX8, Q96GD4, Q9NQS7, Q9UIK4, and Q9UQB9
DOI: 10.7270/q2k9399w
title: BindingDB Entry 50046406: Vinyl sulfone analogs of lysophosphatidylcholine irreversibly inhibit autotaxin and prevent angiogenesis in melanoma.

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2nz89hn
title: BindingDB Entry 50047439: Isocoumarins, miraculous natural products blessed with diverse pharmacological activities.

description: Small molecule binding data for protein Aromatase (CYP19), Kallikrein 5, and Kallikrein 7, Uniprot P11511 and P49862
DOI: 10.7270/q2pc34bw
title: BindingDB Entry 50047944: Neuroactive and Anti-inflammatory Frankincense Cembranes: A Structure-Activity Study.

description: Small molecule binding data for protein Heat sensitive channel TRPV3, Nuclear factor NF-kappa-B, Signal transducer and activator of transcription 3, and Transient receptor potential cation channel subfamily V member 3, Uniprot P40763 and Q04206
DOI: 10.7270/q2pg1tkk
title: BindingDB Entry 50046916: Benzylamide antagonists of protease activated receptor 2 with anti-inflammatory activity.

description: Small molecule binding data for protein Proteinase-activated receptor 2, Uniprot P55085
DOI: 10.7270/q2sn0bw3
title: BindingDB Entry 50047438: Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors.

description: Small molecule binding data for protein Tryptophan 5-hydroxylase_UNCURATED, Uniprot P17752
DOI: 10.7270/q2t155mf
title: BindingDB Entry 50047943: Metabolism study and biological evaluation of bosentan derivatives.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q2t72k8v
title: BindingDB Entry 50046915: (E)-1,3-diphenyl-1H-pyrazole derivatives containing O-benzyl oxime moiety as potential immunosuppressive agents: Design, synthesis, molecular docking and biological evaluation.

description: Small molecule binding data for protein PI3-kinase subunit gamma and Phosphatidylinositol 3-kinase p110γ (p110γ), Uniprot P48736 and Q9JHG7
DOI: 10.7270/q2x63pn0
title: BindingDB Entry 50045889: Discovery of bicyclic pyrazoles as class III histone deacetylase SIRT1 and SIRT2 inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 8, NAD-Dependent Deacetylase Sirtuin-1, and NAD-dependent deacetylase sirtuin 2, Uniprot A0A024QZ26, Q13547, Q8IXJ6, Q92769, Q96EB6, Q9BY41, and Q9UBN7
DOI: 10.7270/q2xd13kc
title: BindingDB Entry 50047437: Design, synthesis, and biological evaluation of new arylamide derivatives possessing sulfonate or sulfamate moieties as steroid sulfatase enzyme inhibitors.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2xk8hbk
title: BindingDB Entry 50046411: Imine/amide-imidazole conjugates derived from 5-amino-4-cyano-N1-substituted benzyl imidazole: Microwave-assisted synthesis and anticancer activity via selective topoisomerase-II-a inhibition.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2xs5xbg
title: BindingDB Entry 50047942: Synthesis and anticholinesterase activity of coumarin-3-carboxamides bearing tryptamine moiety.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2z03b0k
title: BindingDB Entry 50046914: 2,4-Diaminopyrimidines as dual ligands at the histamine H1 and H4 receptor-H1/H4-receptor selectivity.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P25021, P35367, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q20z7500
title: BindingDB Entry 50045896: In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.

description: Small molecule binding data for protein Bile salt export pump and Bile salt export pump (BSEP), Uniprot O70127 and O95342
DOI: 10.7270/q2154jxw
title: BindingDB Entry 50047444: Synthesis of benzothiadiazine derivatives exhibiting dual activity as aldose reductase inhibitors and antioxidant agents.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q21j9cr8
title: BindingDB Entry 50047949: Discovery of a Potent Acyclic, Tripeptidic, Acyl Sulfonamide Inhibitor of Hepatitis C Virus NS3 Protease as a Back-up to Asunaprevir with the Potential for Once-Daily Dosing.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 3A, and Leukocyte elastase, Uniprot P08246, P08684, and P40989
DOI: 10.7270/q21r6sbs
title: BindingDB Entry 50046921: Discovery of the imidazole-derived GPR40 agonist AM-3189.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Melanocortin receptor 4, Uniprot O14842, P70596, and Q76JV1
DOI: 10.7270/q24q7wqx
title: BindingDB Entry 50045895: In vitro hepatotoxicity and cytochrome P450 induction and inhibition characteristics of carnosic acid, a dietary supplement with antiadipogenic properties.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Cytochrome P450 3A, Uniprot P08684 and P11712
DOI: 10.7270/q24x59pr
title: BindingDB Entry 50047443: Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.

description: Small molecule binding data for protein Macrophage migration inhibitory factor (MIF), Uniprot P14174
DOI: 10.7270/q25b04gj
title: BindingDB Entry 50047948: Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors.

description: Small molecule binding data for protein DNA Gyrase Subunit B and DNA gyrase, Uniprot P0A0K8 and P0AES6
DOI: 10.7270/q25h7j3z
title: BindingDB Entry 50046920: Design and Synthesis of a Focused Library of Diamino Triazines as Potential Mycobacterium tuberculosis DHFR Inhibitors.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374 and P9WNX1
DOI: 10.7270/q28p62fx
title: BindingDB Entry 50047442: Design, synthesis, and biological evaluation of substrate-competitive inhibitors of C-terminal Binding Protein (CtBP).

description: Small molecule binding data for protein C-terminal-binding protein 2, Uniprot P56545
DOI: 10.7270/q28w3g3b
title: BindingDB Entry 50046416: Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q29888vq
title: BindingDB Entry 50046919: Active site-directed plasmin inhibitors: Extension on the P2 residue.

description: Small molecule binding data for protein Plasminogen, Trypsin, and Urokinase-type plasminogen activator, Uniprot P00747, P00749, P07477, P07478, and P35030
DOI: 10.7270/q2d79d5c
title: BindingDB Entry 50045893: Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment.

description: Small molecule binding data for protein Calcium channel, Calcium channel (Type L), and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot O35505, P22002, and Q13936
DOI: 10.7270/q2df6t4t
title: BindingDB Entry 50047441: Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.

description: Small molecule binding data for protein Cytochrome P450 1A and Microtubule-associated protein 2, Uniprot P05177 and P11137
DOI: 10.7270/q2dn46v3
title: BindingDB Entry 50046415: Phosphate-modified analogues of m(7)GTP and m(7)Gppppm(7)G-Synthesis and biochemical properties.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E, Uniprot P29338
DOI: 10.7270/q2f191kf
title: BindingDB Entry 50046918: Benzamide derivatives and their constrained analogs as histamine H3 receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Histamine receptor (H3), Uniprot P08684, P10635, and Q9Y5N1
DOI: 10.7270/q2hm5bfb
title: BindingDB Entry 50047953: Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836, P22303, and Q869C3
DOI: 10.7270/q2j104w7
title: BindingDB Entry 50045892: Prediction of Thorough QT study results using action potential simulations based on ion channel screens.

description: Small molecule binding data for protein Calcium channel (Type L), Voltage-gated potassium channel, Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1, Voltage-gated potassium channel subunit Kv4.3, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P15382, P51787, Q12809, Q13936, Q14524, and Q9UK17
DOI: 10.7270/q2j67jtp
title: BindingDB Entry 50047440: Design and synthesis of N-(4-aminopyridin-2-yl)amides as B-Raf(V600E) inhibitors.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q2jd4zkf
title: BindingDB Entry 50046414: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, ALK tyrosine kinase receptor, Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase, Aurora kinase B/Inner centromere protein, Cyclin-Dependent Kinase 2 (CDK2), Cytochrome P450 2B6, Cytochrome P450 2D6 (2D6), Dual specificity protein kinase TTK, Ephrin type-A receptor 2, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2), IGF-like family receptor 1, Inhibitor of NF-kappa-B kinase (IKK), Insulin 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, Maternal embryonic leucine zipper kinase, Mitogen-activated protein kinase 14, Mitotic checkpoint serine/threonine-protein kinase BUB1, Neurotrophic tyrosine kinase receptor, PKC alpha and beta-2, Pancreatic endoplasmic reticulum kinase (PERK), Platelet-derived growth factor receptor beta, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase EEF2K, Serine/threonine-protein kinase MST4, Serine/threonine-protein kinase NEK6, Serine/threonine-protein kinase NIM1, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase haspin, Serine/threonine-protein kinase tousled-like 2, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BRK, 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, Vascular endothelial growth factor receptor 2, cAMP-dependent protein kinase (PKA), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O00311, O00418, O14757, O14920, O14965, O15530, O43683, O60674, O96013, P00519, P00533, P04629, P05771, P06213, P06239, P07948, P07949, P08581, P09619, P09874, P10635, P10721, P11309, P11362, P17612, P20248, P20813, P23458, P24941, P28482, P29317, P29597, P31749, P33981, P35968, P36888, P43403, P43405, P49137, P49841, P52333, P53350, Q05397, Q07912, Q13882, Q14680, Q16539, Q86UE8, Q8IY84, Q8TF76, Q96GD4, Q9H665, Q9HBH9, Q9HC98, Q9NZJ5, Q9P1W9, Q9P289, Q9UBU7, Q9UGN5, and Q9UM73
DOI: 10.7270/q2js9s81
title: BindingDB Entry 50046917: Discovery of highly potent dual EP(2) and EP(3) agonists with subtype selectivity.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P34995, P35408, P43115, and P43116
DOI: 10.7270/q2nc6352
title: BindingDB Entry 50047952: Synthesis and Enantiomeric Separation of a Novel Spiroketal Derivative: A Potent Human Telomerase Inhibitor with High in Vitro Anticancer Activity.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2np264f
title: BindingDB Entry 50045891: Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk.

description: Small molecule binding data for protein Sodium channel alpha subunit, Sodium channel protein type 7 subunit alpha, Voltage-dependent L-type calcium channel subunit alpha-1C, Voltage-gated L-type calcium channel, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot O35505, O60840, P35498, P35499, Q01118, Q01668, Q12809, Q13698, Q13936, Q14524, Q15858, Q99250, Q9NY46, Q9UI33, Q9UQD0, and Q9Y5Y9
DOI: 10.7270/q2p270x8
title: BindingDB Entry 50046413: Design and synthesis of new non nucleoside inhibitors of DNMT3A.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1 (DNMT1) and DNMT3A2/3L complex, Uniprot P26358 and Q9Y6K1
DOI: 10.7270/q2s46txf
title: BindingDB Entry 50047951: Discovery of N-(1-(3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl)ethyl)acetamides as novel acetyl-CoA carboxylase 2 (ACC2) inhibitors with peroxisome proliferator-activated receptora/d (PPARa/d) dual agonistic activity.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 2 (ACC2), Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot O00763, P37231, Q03181, and Q07869
DOI: 10.7270/q2sf2xvc
title: BindingDB Entry 50045890: Progress in discovery of small-molecule modulators of protein-protein interactions via fragment screening.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2, DNA repair protein RAD51 homolog 1, and GTPase KRas, Uniprot P01116, Q06609, and Q6PL18
DOI: 10.7270/q2st7rmv
title: BindingDB Entry 50046412: Indole Glucocorticoid Receptor Antagonists Active in a Model of Dyslipidemia Act via a Unique Association with an Agonist Binding Site.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P06536, P08235, and P10275
DOI: 10.7270/q2ws8w7j
title: BindingDB Entry 50047950: Synthesis and evaluation of 2,5 and 2,6 pyridine-based CXCR4 inhibitors.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q20k2bjj
title: BindingDB Entry 50047957: Arylsulfonamide derivatives of (aryloxy)ethyl pyrrolidines and piperidines asa

description: Small molecule binding data for protein Adrenergic alpha1B and Alpha-1A adrenergic receptor, Uniprot P35348 and P35368
DOI: 10.7270/q21c1zn6
title: BindingDB Entry 50046418: Discovery of Potent and Selective RSK Inhibitors as Biological Probes.

description: Small molecule binding data for protein Ribosomal protein S6 kinase alpha 3 and Ribosomal protein S6 kinase alpha-3, Uniprot P18654 and P51812
DOI: 10.7270/q24b3388
title: BindingDB Entry 50047956: Design and synthesis of triarylacrylonitrile analogues of tamoxifen with improved binding selectivity to protein kinase C.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2542qcx
title: BindingDB Entry 50046417: Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.

description: Small molecule binding data for protein ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Cytochrome P450 3A, Lymphocyte differentiation antigen CD38, and Voltage-gated potassium channel, Uniprot P08684, P28907, P56528, and Q12809
DOI: 10.7270/q2833v0m
title: BindingDB Entry 50047955: Design and synthesis of curcumin derivatives as tau and amyloidß dual aggregation inhibitors.

description: Small molecule binding data for protein Tau, Uniprot P10636