cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2n016jj
title: BindingDB Entry 50030256: Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines.

description: Small molecule binding data for protein Ephrin type-B receptor 4 (EphB4), Uniprot P54760 and Q541P7
DOI: 10.7270/q2n58mn7
title: BindingDB Entry 50033039: Discovery of potent dipeptidyl peptidase IV inhibitors derived fromß-aminoamides bearing substituted [1,2,3]-triazolopiperidines for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2nv9jgf
title: BindingDB Entry 50032200: Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: optimization of in vitro activity.

description: Small molecule binding data for protein HM74 nicotinic acid GPCR and Hydroxycarboxylic acid receptor 2, Uniprot P49019, Q80Z39, and Q8TDS4
DOI: 10.7270/q2rj4jm5
title: BindingDB Entry 50031241: Novel small molecule bradykinin B1 receptor antagonists. Part 3: hydroxyurea derivatives.

description: Small molecule binding data for protein Bradykinin B1 receptor, Uniprot P46663
DOI: 10.7270/q2rx9ccn
title: BindingDB Entry 50033038: Synthesis and evaluation of novel pyrimidine-based dual EGFR/Her-2 inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2sn0958
title: BindingDB Entry 50032199: Identification and hit-to-lead optimization of a novel class of CB1 antagonists.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P21554
DOI: 10.7270/q2w9599f
title: BindingDB Entry 50031240: Asymmetric syntheses of daedalin A and quercinol and their tyrosinase inhibitory activity.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2wd40md
title: BindingDB Entry 50030253: N-Glycine-sulfonamides as potent dual orexin 1/orexin 2 receptor antagonists.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2wq043x
title: BindingDB Entry 50033037: Discovery of new inhibitor for PDE3 by virtual screening.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3) and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot Q13370 and Q14432
DOI: 10.7270/q2x92bhq
title: BindingDB Entry 50032198: SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P35372, P41143, P41145, and Q12809
DOI: 10.7270/q2028rnz
title: BindingDB Entry 50031249: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q20g3kff
title: BindingDB Entry 50033045: Synthesis and biological evaluation of 4-quinazolinones as Rho kinase inhibitors.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116
DOI: 10.7270/q2125swp
title: BindingDB Entry 50032208: Seliciclib (CYC202, R-Roscovitine) induces cell death in multiple myeloma cells by inhibition of RNA polymerase II-dependent transcription and down-regulation of Mcl-1.

description: Small molecule binding data for protein CDK2/Cyclin E/G1/S-specific cyclin E2 and Cyclin-Dependent Kinase 7 (CDK7), Uniprot O96020, P24864, P24941, P50613, and P51946
DOI: 10.7270/q2319vw9
title: BindingDB Entry 50030269: New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) and Aldo-keto reductase family 1 member C1, Uniprot P42330 and Q04828
DOI: 10.7270/q237791s
title: BindingDB Entry 50033052: A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q23t9hbx
title: BindingDB Entry 50031248: Characterization of sirtuin inhibitors in nematodes expressing a muscular dystrophy protein reveals muscle cell and behavioral protection by specific sirtinol analogues.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q23t9hf8
title: BindingDB Entry 50032218: New approaches to molecular cancer therapeutics.

description: Small molecule binding data for protein C-RAF, Uniprot P04049
DOI: 10.7270/q2474b55
title: BindingDB Entry 50033044: Design and synthesis of tricyclic tetrahydroquinolines as a new series of nonsteroidal selective androgen receptor modulators (SARMs).

description: Small molecule binding data for protein Androgen receptor, Glucocorticoid, Progesterone receptor, and mineralocorticoid, Uniprot P06186, P06536, P15207, and P22199
DOI: 10.7270/q26q1x99
title: BindingDB Entry 50030267: Highly twisted adamantyl arotinoids: synthesis, antiproliferative effects and RXR transactivation profiles.

description: Small molecule binding data for protein Retinoid X receptor alpha, Uniprot P28700
DOI: 10.7270/q27081r3
title: BindingDB Entry 50033051: Design of a novel pyrrolidine scaffold utilized in the discovery of potent and selective humanß3 adrenergic receptor agonists.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Beta-3 adrenergic receptor, and Voltage-gated potassium channel, Uniprot P07550, P08588, P13945, and Q12809
DOI: 10.7270/q27m0826
title: BindingDB Entry 50031246: 2-Dialkynyl derivatives of (N)-methanocarba nucleosides: 'Clickable' A(3) adenosine receptor-selective agonists.

description: Small molecule binding data for protein Adenosine receptor A2a and Adenosine receptor A3, Uniprot P0DMS8 and P29274
DOI: 10.7270/q2bg2p11
title: BindingDB Entry 50030266: New and selective ryanodine receptor activators for insect control.

description: Small molecule binding data for protein Ryanodine receptor 1, Ryanodine receptor 2, and Ryanodine receptor 44F, Uniprot B0LPN4, E9PZQ0, and Q24498
DOI: 10.7270/q2br8sg4
title: BindingDB Entry 50033050: Synthesis and SAR studies of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V1b receptor antagonists.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, Vasopressin V2 receptor (V2), and Vasopressin receptor, Uniprot P30518, P30559, P37288, P47901, and P48974
DOI: 10.7270/q2cc10wv
title: BindingDB Entry 50032216: Rational design of inhibitors that bind to inactive kinase conformations.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, C-RAF, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, SRC, Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot L7RSL3, O14965, P00519, P00533, P04049, P06239, P06241, P09619, P10721, P11362, P15056, P16234, P17948, P35916, P35968, P36888, P43405, P45984, Q02763, Q16539, and Q96GD4
DOI: 10.7270/q2db822j
title: BindingDB Entry 50032204: Bioactivity-guided isolation of 1,2,3,4,6-Penta-O-galloyl-D-glucopyranose from Paeonia lactiflora roots as a PTP1B inhibitor.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and T-cell protein-tyrosine phosphatase, Uniprot P17706 and P18031
DOI: 10.7270/q2f76ckh
title: BindingDB Entry 50030275: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, and Voltage-gated potassium channel, Uniprot P48067, Q12809, and Q9Y345
DOI: 10.7270/q2g73drb
title: BindingDB Entry 50030265: Design, synthesis, and biological evaluation of 1,5-benzothiazepine-4-one derivatives targeting factor VIIa/tissue factor.

description: Small molecule binding data for protein Coagulation factor VII/tissue factor, Coagulation factor X/antithrombin III, and Prothrombin, Uniprot P00734, P00742, and P13726
DOI: 10.7270/q2gf0tsp
title: BindingDB Entry 50033049: Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2h41rnn
title: BindingDB Entry 50032214: Allosteric inhibitors of Bcr-abl-dependent cell proliferation.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519 and P11274
DOI: 10.7270/q2kw5g5s
title: BindingDB Entry 50031252: Side chain SAR of bicyclic beta-lactamase inhibitors (BLIs). 1. Discovery of a class C BLI for combination with imipinem.

description: Small molecule binding data for protein Beta-lactamase, Uniprot P24735
DOI: 10.7270/q2m61khd
title: BindingDB Entry 50033048: Parallel solid-phase synthesis of a small library of linear and hydrocarbon-bridged analogues of VEGF(81-91): potential biological tools for studying the VEGF/VEGFR-1 interaction.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor, Uniprot L7RSL3 and P17948
DOI: 10.7270/q2mw2h8q
title: BindingDB Entry 50031242: 2-Arylbenzoxazoles as CETP inhibitors: substitution and modification of the alpha-alkoxyamide moiety.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2mw2hc2
title: BindingDB Entry 50032213: Host sphingolipid biosynthesis as a target for hepatitis C virus therapy.

description: Small molecule binding data for protein Serine palmitoyltransferase 1 and Serine palmitoyltransferase 2, Uniprot O15269 and O15270
DOI: 10.7270/q2qn66w3
title: BindingDB Entry 50031251: Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models.

description: Small molecule binding data for protein 5-HT3A Serotonin Receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2 and M4, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-7 subunit, Serotonin 3 (5-HT3) receptor, and Voltage-gated potassium channel, Uniprot P08173, P08912, P11229, P20309, P23979, P36544, P46098, Q05941, and Q12809
DOI: 10.7270/q2qr4x5n
title: BindingDB Entry 50030263: 4-Phenoxybutoxy-substituted heterocycles--a structure-activity relationship study of blockers of the lymphocyte potassium channel Kv1.3.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot P22001
DOI: 10.7270/q2qz2b7t
title: BindingDB Entry 50033047: CD22-antagonists with nanomolar potency: the synergistic effect of hydrophobic groups at C-2 and C-9 of sialic acid scaffold.

description: Small molecule binding data for protein B-cell receptor CD22, CD22, and Myelin-associated glycoprotein, Uniprot P20273, P20916, and P35329
DOI: 10.7270/q2rn383s
title: BindingDB Entry 50032212: Assignment of protein function in the postgenomic era.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, SRC, and Tyrosine-protein kinase ABL1, Uniprot P00519, P06241, and P24941
DOI: 10.7270/q2th8mrk
title: BindingDB Entry 50030271: Homology modeling of MCH1 receptor and validation by docking/scoring and protein-aligned CoMFA.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2v9886h
title: BindingDB Entry 50031250: [Lys(DOTA)4]BVD15, a novel and potent neuropeptide Y analog designed for Y1 receptor-targeted breast tumor imaging.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, and PPYR1, Uniprot P25929, P49146, and P50391
DOI: 10.7270/q2vh5nvh
title: BindingDB Entry 50030262: Discovering novel quercetin-3-O-amino acid-esters as a new class of Src tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00533 and P12931
DOI: 10.7270/q2vq32z4
title: BindingDB Entry 50033046: Tetrahydroquinolin-3-yl carbamate glucocorticoid receptor agonists with reduced PEPCK activation.

description: Small molecule binding data for protein Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, and P08235
DOI: 10.7270/q2wd40sn
title: BindingDB Entry 50032210: C3-symmetric peptide scaffolds are functional mimetics of trimeric CD40L.

description: Small molecule binding data for protein Tumor necrosis factor receptor superfamily member 5, Uniprot P25942
DOI: 10.7270/q2z89cfv
title: BindingDB Entry 50030270: Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinesterase/butyrylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2057g4k
title: BindingDB Entry 50032219: TRPM8 voltage sensor mutants reveal a mechanism for integrating thermal and chemical stimuli.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 8 (TRPM8), Uniprot Q7Z2W7
DOI: 10.7270/q2222tsx
title: BindingDB Entry 50030278: The influence of double bond geometry in the inhibition of cyclooxygenases by sulindac derivatives.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), and Cyclooxygenase-2 (COX-2), Uniprot P23219, P35354, and Q05769
DOI: 10.7270/q22807wj
title: BindingDB Entry 50033062: Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, Apoptosis Signal-regulating Kinase 1 (ASK1), Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 2, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, JAK3/JAK1, PI3-kinase subunit alpha, Ribosomal protein S6 kinase (P70S6K), Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase Sgk1, Tyrosine-protein kinase SYK, Vascular endothelial growth factor receptor 2, and c-Jun N-terminal kinase, JNK, Uniprot O00141, O14757, O14965, O15111, O15530, P06213, P08069, P23443, P24941, P31749, P35968, P42336, P43405, P45983, P52333, Q96GD4, and Q99683
DOI: 10.7270/q22v2g63
title: BindingDB Entry 50031257: Phenylacetic acid regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity.

description: Small molecule binding data for protein Cyclooxygenase, Prostaglandin G/H synthase (Cyclooxygenase-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P35354, and P79208
DOI: 10.7270/q22z15r6
title: BindingDB Entry 50032227: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells.

description: Small molecule binding data for protein AXL receptor tyrosine kinase, C-RAF, CaM kinase I delta, CaM kinase II, Ephrin receptor, Ephrin type-B receptor 4 (EphB4), Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, IKK epsilon/TBK1, Interleukin-1 receptor-associated kinase 4, LIM domain kinase 1, Misshapen-like kinase 1, Mitogen-activated protein kinase 2, Mitogen-activated protein kinase kinase kinase kinase 5, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, PTK2B protein tyrosine kinase 2 beta (PTK2B), Platelet-derived growth factor receptor, SRC, Serine/threonine-protein kinase 10, Serine/threonine-protein kinase 24, Serine/threonine-protein kinase 4 (STK4), Serine/threonine-protein kinase RIPK2, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase ABL, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BLK, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase CSK, Tyrosine-protein kinase FER, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase TEC, Tyrosine-protein kinase TXK (TXK), Tyrosine-protein kinase Yes, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O43353, O94804, P00519, P00533, P04049, P04629, P06239, P06241, P07332, P07947, P07948, P08631, P09769, P10721, P12931, P16234, P16277, P16591, P29323, P30530, P41240, P42680, P42681, P42684, P42685, P43405, P51813, P53667, P54760, Q02763, Q05397, Q06187, Q07912, Q12851, Q13043, Q13555, Q14289, Q16620, Q541P7, Q8IU85, Q8N4C8, Q9NWZ3, Q9UHD2, and Q9Y6E0
DOI: 10.7270/q25t3kgw
title: BindingDB Entry 50030277: A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase.

description: Small molecule binding data for protein Fructose-1,6-bisphosphatase 1 (FBPase), Uniprot P00636 and P09467
DOI: 10.7270/q26110m8
title: BindingDB Entry 50033061: Facile synthesis of a fluorescent cyclosporin a analogue to study cyclophilin 40 and cyclophilin 18 ligands.

description: Small molecule binding data for protein Cyclophilin A and Cyclophilin D (CypD), Uniprot P62937 and Q08752
DOI: 10.7270/q26m36xd
title: BindingDB Entry 50031256: Discovery of cyclicsulfonamide derivatives as 11beta-hydroxysteroid dehydrogenase 1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and Voltage-gated potassium channel, Uniprot P28845, P50172, and Q12809
DOI: 10.7270/q26m3715
title: BindingDB Entry 50032226: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, 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, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin receptor, Insulin-like growth factor I receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, SRC, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00533, P04626, P06213, P06239, P06493, P07948, P08069, P09619, P11362, P11802, P12931, P16234, P17948, P21802, P22455, P22607, P24941, P35916, P35918, P35968, and P36888
DOI: 10.7270/q27m0843
title: BindingDB Entry 50032217: Probing cell-division phenotype space and Polo-like kinase function using small molecules.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Uniprot P53350
DOI: 10.7270/q28k7944
title: BindingDB Entry 50030285: The discovery of the potent aurora inhibitor MK-0457 (VX-680).

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Glycogen synthase kinase-3, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-C, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O14965, P12931, P49841, Q96GD4, and Q9UQB9
DOI: 10.7270/q29g5mvs
title: BindingDB Entry 50030276: Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase.

description: Small molecule binding data for protein Trypanothione reductase, Uniprot P28593
DOI: 10.7270/q29s1rb9
title: BindingDB Entry 50033060: Exploring a7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P36544
DOI: 10.7270/q2bc3znr
title: BindingDB Entry 50031255: Bicyclic peptides as potent inhibitors of histone deacetylases: optimization of alkyl loop length.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 4, Uniprot A0A024QZ26, P56524, Q13547, and Q9UBN7
DOI: 10.7270/q2bc3zqn
title: BindingDB Entry 50032224: Molecular basis of cyclin-CDK-CKI regulation by reversible binding of an inositol pyrophosphate.

description: Small molecule binding data for protein Cyclin-dependent protein kinase PHO85 and Phosphate system positive regulatory protein PHO81, Uniprot P17157, P17442, and P20052
DOI: 10.7270/q2f47p8j
title: BindingDB Entry 50031262: 9-Aminomethyl-9,10-dihydroanthracene (AMDA) analogs as structural probes for steric tolerance in 5-HT2A and H1 receptor binding sites.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A) and Histamine H1 receptor, Uniprot P28223 and P35367
DOI: 10.7270/q2fj2h21
title: BindingDB Entry 50033058: Identification of a New Series of STAT3 Inhibitors by Virtual Screening.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2g44qdx
title: BindingDB Entry 50031254: Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2g44qgt
title: BindingDB Entry 50032223: Surveying polypeptide and protein domain conformation and association with FlAsH and ReAsH.

description: Small molecule binding data for protein Transcription factor AP-1, Uniprot P05412
DOI: 10.7270/q2jw8f1d
title: BindingDB Entry 50031261: Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.

description: Small molecule binding data for protein Fructose-1,6-bisphosphatase 1 (FBPase), Uniprot P09467
DOI: 10.7270/q2k07497
title: BindingDB Entry 50030273: Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type I, Uniprot P36897 and Q16539
DOI: 10.7270/q2k64jc1
title: BindingDB Entry 50033057: Effect of structural modification in the amine portion of substituted aminobutyl-benzamides as ligands for bindings1 ands2 receptors.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492