cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2js9qd0
title: BindingDB Entry 50029802: TBA

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neprilysin, Uniprot P08473 and P47820
DOI: 10.7270/q2js9qk7
title: BindingDB Entry 50031753: Synthesis and opioid activity of novel 6-substituted-6-demethoxy-ethenomorphinans.

description: Small molecule binding data for protein Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P42866
DOI: 10.7270/q2kh0n72
title: BindingDB Entry 50028699: New 1alpha,25-dihydroxy-19-norvitamin D(3) compounds constrained in a single A-ring conformation: synthesis of the analogues by ring-closing metathesis route and their biological evaluation.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P13053
DOI: 10.7270/q2kp827s
title: BindingDB Entry 50030805: Bioisosteric replacement of the hydrazide pharmacophore of the cannabinoid-1 receptor antagonist SR141716A. Part I: potent, orally-active 1,4-disubstituted imidazoles.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P20272, P21554, and P33261
DOI: 10.7270/q2nk3f1b
title: BindingDB Entry 50029809: TBA

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482
DOI: 10.7270/q2pk0g3t
title: BindingDB Entry 50029801: TBA

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2q81d07
title: BindingDB Entry 50028697: 1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.

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/q2qf8szq
title: BindingDB Entry 50030804: Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2sb45q6
title: BindingDB Entry 50029808: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2t153jq
title: BindingDB Entry 50028718: Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening.

description: Small molecule binding data for protein Niemann-Pick C1-like 1 protein and Niemann-Pick C1-like protein 1, Uniprot Q6T3U3 and Q9UHC9
DOI: 10.7270/q2t72hmh
title: BindingDB Entry 50031750: Structure-activity relationships of fluorinated (E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone-O-methyloxime (ABP688) derivatives and the discovery of a high affinity analogue as a potential candidate for imaging metabotropic glutamate recepors subtype 5 (mGluR5) with positron emission tomog

description: Small molecule binding data for protein Metabotropic glutamate receptor, Uniprot P31424
DOI: 10.7270/q2v69jpf
title: BindingDB Entry 50030802: C-5 Substituted heteroaryl 3-pyridinecarbonitriles as PKCtheta inhibitors: Part I.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 2, PKC alpha and beta-2, Protein kinase C (PKC), Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, epsilon, Protein kinase C, eta, Rho-associated protein kinase, and SRC, Uniprot P05771, P06239, P07948, P24723, P49137, Q02156, Q04759, Q05513, Q05655, and Q13464
DOI: 10.7270/q2x34xfj
title: BindingDB Entry 50029807: TBA

description: Small molecule binding data for protein Subtilisin, Uniprot P00780 and P29599
DOI: 10.7270/q2xs5v96
title: BindingDB Entry 50028715: Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2z0388b
title: BindingDB Entry 50030810: A strategy of employing aminoheterocycles as amide mimics to identify novel, potent and bioavailable soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Epoxide hydratase and Epoxide hydrolase 2, Uniprot P34913 and P80299
DOI: 10.7270/q2z038b7
title: BindingDB Entry 50031749: 3-Aryl-5-phenoxymethyl-1,3-oxazolidin-2-ones as positive allosteric modulators of mGluR2 for the treatment of schizophrenia: Hit-to-lead efforts.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q20v8crp
title: BindingDB Entry 50029817: TBA

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P35563
DOI: 10.7270/q21j99pj
title: BindingDB Entry 50028727: Structure-based design of 3-aryl-6-amino-triazolo[4,3-b]pyridazine inhibitors of Pim-1 kinase.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Interleukin-1 receptor-associated kinase 4, JAK3/JAK1, MAP kinase ERK2, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 8, Protein kinase C theta type, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, TAK1/TAB1, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O14965, O43318, O60674, P08581, P11309, P12931, P24941, P28482, P35968, P36888, P41279, P43405, P49841, P52333, P53350, P53779, Q04759, Q08881, Q16539, and Q9NWZ3
DOI: 10.7270/q21r6qmj
title: BindingDB Entry 50030823: GDC-0449-a potent inhibitor of the hedgehog pathway.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Sonic hedgehog protein, Uniprot P11712 and Q62226
DOI: 10.7270/q21r6qpf
title: BindingDB Entry 50031774: Emerging targets in osteoporosis disease modification.

description: Small molecule binding data for protein Calcium-sensing receptor (CaSR), Cannabinoid receptor 1, Cannabinoid receptor 2, Cathepsin K, Extracellular calcium-sensing receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, G-protein coupled receptor 55, Glycogen synthase kinase-3, Integrin beta-3/Vitronectin receptor alpha, PTK2B protein tyrosine kinase 2 beta (PTK2B), Parathyroid hormone receptor, Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid EP2 Receptor, Prostanoid EP2 receptor, Prostanoid EP3 Receptor, Prostanoid EP4 Receptor, Prostanoid EP4 receptor, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase CSK, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase Yes, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O35186, P00519, P05106, P06756, P07947, P10721, P12931, P21554, P30557, P32240, P34972, P34995, P35384, P35408, P41180, P41240, P43114, P43115, P43116, P43235, P49841, Q03431, Q05397, Q14289, Q62053, Q62928, and Q9Y2T6
DOI: 10.7270/q23n23bk
title: BindingDB Entry 50029827: TBA

description: Small molecule binding data for protein NMDA receptor subunit 2C (GluN2C), Uniprot Q00961
DOI: 10.7270/q24m94hv
title: BindingDB Entry 50029816: TBA

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q25b02cc
title: BindingDB Entry 50028726: Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.

description: Small molecule binding data for protein Casein Kinase II, Uniprot P68400
DOI: 10.7270/q25h7gb8
title: BindingDB Entry 50030821: Design, synthesis, and evaluation of novel 3-amino-4-hydrazine-cyclobut-3-ene-1,2-diones as potent and selective CXCR2 chemokine receptor antagonists.

description: Small molecule binding data for protein Chemokine receptor type 1 (CXCR1) and Interleukin-8 receptors, CXCR2, Uniprot P25024 and P25025
DOI: 10.7270/q25h7gfm
title: BindingDB Entry 50031773: Prediction of acetylcholinesterase inhibitors and characterization of correlative molecular descriptors by machine learning methods.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q29023pc
title: BindingDB Entry 50028725: Molecular and conformational determinants of pituitary adenylate cyclase-activating polypeptide (PACAP) for activation of the PAC1 receptor.

description: Small molecule binding data for protein Pituitary adenylate cyclase-activating polypeptide type I receptor, Uniprot P41586
DOI: 10.7270/q2988720
title: BindingDB Entry 50030817: Pharmacophore-guided lead optimization: the rational design of a non-zinc coordinating, sub-micromolar inhibitor of the botulinum neurotoxin serotype a metalloprotease.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q298876s
title: BindingDB Entry 50031772: On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin L, and Rhodesain, Uniprot P07858 and P25975
DOI: 10.7270/q2d50mz2
title: BindingDB Entry 50029812: TBA

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2dr2vcz
title: BindingDB Entry 50028722: Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), and TNF-alpha, Uniprot P03956, P08253, P45452, P50281, P78536, and Q9Z0F8
DOI: 10.7270/q2dz08dp
title: BindingDB Entry 50030816: Structure-activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinase.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P06935
DOI: 10.7270/q2gx4bj3
title: BindingDB Entry 50029822: TBA

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2hx1cn1
title: BindingDB Entry 50029811: TBA

description: Small molecule binding data for protein Glutamate receptor 1 (GluA1), Glutamate receptor ionotropic, kainate, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, and metabotropic glutamate 1/2, Uniprot O15303, P19490, P23385, P31423, P41594, P42264, Q13255, and Q14416
DOI: 10.7270/q2jq113z
title: BindingDB Entry 50030815: Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA).

description: Small molecule binding data for protein Plasminogen, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00747, P00749, and P00750
DOI: 10.7270/q2mp537c
title: BindingDB Entry 50029820: TBA

description: Small molecule binding data for protein Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4), Uniprot P27487
DOI: 10.7270/q2ng4qph
title: BindingDB Entry 50030828: Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR.

description: Small molecule binding data for protein PI3-kinase subunit alpha, Serine-protein kinase ATM, and Serine/threonine-protein kinase mTOR, Uniprot P42336, P42345, and Q13315
DOI: 10.7270/q2nk3f6k
title: BindingDB Entry 50031778: Optimisation of a pyrazole series of progesterone antagonists; Part 1.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, and P10275
DOI: 10.7270/q2p84bsj
title: BindingDB Entry 50028719: Histone deacetylase inhibitors with a primary amide zinc binding group display antitumor activity in xenograft model.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2pg1rtw
title: BindingDB Entry 50030814: Novel CGRP receptor antagonists through a design strategy of target simplification with addition of molecular flexibility.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor and Dual specificity mitogen-activated protein kinase kinase 2, Uniprot P36507 and Q16602
DOI: 10.7270/q2pg1rx7
title: BindingDB Entry 50031751: Synthesis of DOTA-conjugated multimeric [Tyr3]octreotide peptides via a combination of Cu(I)-catalyzed"click" cycloaddition and thio acid/sulfonyl azide"sulfo-click" amidation and their in vivo evaluation.

description: Small molecule binding data for protein SSTR2, Uniprot P30680
DOI: 10.7270/q2rb74m8
title: BindingDB Entry 50029819: TBA

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2s182db
title: BindingDB Entry 50028732: Cyclobutane-containing peptides: evaluation as novel metallocarboxypeptidase inhibitors and modelling of their mode of action.

description: Small molecule binding data for protein Carboxypeptidase A1 and Thrombin-activatable fibrinolysis (TAFI), Uniprot P00730 and P15086
DOI: 10.7270/q2s75ghk
title: BindingDB Entry 50031777: Discovery of potent, balanced and orally active dual NK1/NK3 receptor ligands.

description: Small molecule binding data for protein Neurokinin 1 receptor and Neurokinin 3 receptor, Uniprot P25103 and P29371
DOI: 10.7270/q2t72hjm
title: BindingDB Entry 50030811: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids.

description: Small molecule binding data for protein RNA polymerase (NS5B), Uniprot Q9WMX2
DOI: 10.7270/q2w37w95
title: BindingDB Entry 50029818: TBA

description: Small molecule binding data for protein Phospholipase A2, membrane associated, Uniprot P14555
DOI: 10.7270/q2ws8t5t
title: BindingDB Entry 50028730: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, and Alpha-2A adrenergic receptor, Uniprot P08913, P25100, P35348, and P35368
DOI: 10.7270/q2x0676v
title: BindingDB Entry 50031775: Potent tricyclic pyrazole tetrazole agonists of the nicotinic acid receptor (GPR109a).

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q20k28gt
title: BindingDB Entry 50028744: Synthesis and P2Y receptor activity of nucleoside 5'-phosphonate derivatives.

description: Small molecule binding data for protein Purinergic receptor P2Y2 and Pyrimidinergic receptor P2Y6, Uniprot P41231 and Q15077
DOI: 10.7270/q20r9pg5
title: BindingDB Entry 50030833: Discovery of 1-[4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl]-1-morpholin-4-ylmethanone (GSK554418A), a brain penetrant 5-azaindole CB2 agonist for the treatment of chronic pain.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P21554, P33261, and P34972
DOI: 10.7270/q20r9pj2
title: BindingDB Entry 50031783: N-Hydroxybenzimidazole inhibitors of ExsA MAR transcription factor in Pseudomonas aeruginosa: In vitro anti-virulence activity and metabolic stability.

description: Small molecule binding data for protein Exoenzyme S synthesis regulatory protein exsA, Uniprot P26993
DOI: 10.7270/q24b3170
title: BindingDB Entry 50028743: Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1).

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histone-arginine methyltransferase CARM1, Pregnane X receptor (PXR), Protein arginine methyltransferase 3 (PRMT3), and Protein-arginine N-methyltransferase 1, Uniprot O75469, P08684, P10635, P11712, P33261, and Q86X55
DOI: 10.7270/q24j0f6f
title: BindingDB Entry 50030832: Potent biphenyl- and 3-phenyl pyridine-based inhibitors of acetyl-CoA carboxylase.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763 and Q13085
DOI: 10.7270/q24j0f8b
title: BindingDB Entry 50031782: Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: Pyridazinylmethylphenyl glucoside congeners.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q27d2v3c
title: BindingDB Entry 50029825: TBA

description: Small molecule binding data for protein Angiotensin-Converting Enzyme 2 and Neprilysin, Uniprot P08473, P12821, and Q9BYF1
DOI: 10.7270/q2833rxg
title: BindingDB Entry 50028742: Isoxazole moiety in the linker region of HDAC inhibitors adjacent to the Zn-chelating group: effects on HDAC biology and antiproliferative activity.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, and Q9UBN7
DOI: 10.7270/q28915z6
title: BindingDB Entry 50030831: Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P23975, P31645, Q01959, and Q12809
DOI: 10.7270/q289161h
title: BindingDB Entry 50031781: Benzothiophene containing Rho kinase inhibitors: Efficacy in an animal model of glaucoma.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot Q13464
DOI: 10.7270/q2b56jqr
title: BindingDB Entry 50029836: TBA

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356
DOI: 10.7270/q2c53ktp
title: BindingDB Entry 50029823: TBA

description: Small molecule binding data for protein Chymotrypsinogen B
DOI: 10.7270/q2cr5t81
title: BindingDB Entry 50028740: Dinitroglyceryl and diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of aspirin, indomethacin and ibuprofen: synthesis, biological evaluation and nitric oxide release studies.

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/q2d21xpj
title: BindingDB Entry 50030830: Amiodarone and its putative metabolites fail to activate wild type hTAAR1.

description: Small molecule binding data for protein trace amine-associated receptor 1, Uniprot Q96RJ0
DOI: 10.7270/q2d21xsw
title: BindingDB Entry 50031780: A vHTS approach for the identification of beta-adrenoceptor ligands.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2fx79f5
title: BindingDB Entry 50029834: TBA

description: Small molecule binding data for protein Prothrombin and Trypsin, Uniprot P00734 and P00760
DOI: 10.7270/q2gt5n8k
title: BindingDB Entry 50030838: Thienopyrimidine-based P2Y12 platelet aggregation inhibitors.

description: Small molecule binding data for protein Purinergic receptor P2Y12, Uniprot Q9H244
DOI: 10.7270/q2gt5ncx
title: BindingDB Entry 50031787: Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2hh6jzw
title: BindingDB Entry 50028737: Design, synthesis, and biological activity of boronic acid-based histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2hq4001
title: BindingDB Entry 50030829: Novel pyridine derivatives as potent and selective CB2 cannabinoid receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P21554, P34972, and Q9QZN9
DOI: 10.7270/q2ht2ph9
title: BindingDB Entry 50031779: 8-THP-DHI analogs as potent Type I dual TIE-2/VEGF-R2 receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin receptor, 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, P00533, P06213, P17948, P35916, P35968, and Q02763
DOI: 10.7270/q2kp825w
title: BindingDB Entry 50029833: TBA

description: Small molecule binding data for protein Leukocyte elastase and Pancreatic elastase, Uniprot P08246 and P08419
DOI: 10.7270/q2m908k7
title: BindingDB Entry 50028751: Specific targeting of peripheral serotonin 5-HT(3) receptors. Synthesis, biological investigation, and structure-activity relationships.

description: Small molecule binding data for protein Adrenergic receptor alpha, DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, HTR3A, HTR4, and Serotonin (5-HT) receptor, Uniprot O70212, O70528, P14842, P18901, P19327, P22909, P35563, and P61169
DOI: 10.7270/q2n879pm
title: BindingDB Entry 50028733: Discovery of 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744) as a novel positive allosteric modulator of the alpha7 nicotinic acetylcholine receptor.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Neuronal acetylcholine receptor protein alpha-7 subunit, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, P36544, and Q12809
DOI: 10.7270/q2qf8svc
title: BindingDB Entry 50029830: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2r2118h
title: BindingDB Entry 50028748: Synthesis and biological evaluation of 3,4,6-triaryl-2-pyranones as a potential new class of anti-breast cancer agents.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q2rb74sh
title: BindingDB Entry 50031785: Pyrimidine ribonucleotides with enhanced selectivity as P2Y(6) receptor agonists: novel 4-alkyloxyimino, (S)-methanocarba, and 5'-triphosphate gamma-ester modifications.

description: Small molecule binding data for protein Purinergic receptor P2Y14, Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P51582, Q15077, and Q15391