cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2v40zzw
title: BindingDB Entry 50013437: Structure-Activity Relationship and Bioactivity of Short Analogues of ELABELA as Agonists of the Apelin Receptor.

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414
DOI: 10.7270/q2v41004
title: BindingDB Entry 50013784: Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2B, Cytochrome P450 2C9, Histone deacetylase 1/2/3/8, Histone deacetylase 2, Histone deacetylase 3, and Nuclear receptor subfamily 1 group I member 2, Uniprot O15379, O75469, P11712, P41595, Q13547, Q92769, and Q9BY41
DOI: 10.7270/q2v4101k
title: BindingDB Entry 50014081: C@PA: Computer-Aided Pattern Analysis to Predict Multitarget ABC Transporter Inhibitors.

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Broad substrate specificity ATP-binding cassette transporter ABCG2, and Multidrug resistance-associated protein 1, Uniprot P08183, P33527, and Q9UNQ0
DOI: 10.7270/q2v41021
title: BindingDB Entry 50014438: Discovery of the S1P2 Antagonist GLPG2938 (1-[2-Ethoxy-6-(trifluoromethyl)-4-pyridyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea), a Preclinical Candidate for the Treatment of Idiopathic Pulmonary Fibrosis.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 2, Uniprot O95136
DOI: 10.7270/q2v69nms
title: BindingDB Entry 9318: Aryldiazepine derivatives as RSV inhibitors

description: Small molecule binding data for protein RNA-directed RNA polymerase L, Uniprot P28887
DOI: 10.7270/q2v69nn7
title: BindingDB Entry 9705: Compounds and uses thereof

description: Small molecule binding data for protein Stearoyl-CoA desaturase and Stearoyl-CoA desaturase 5, Uniprot O00767 and Q86SK9
DOI: 10.7270/q2v69npp
title: BindingDB Entry 9914: Pyridazinones as PARP7 inhibitors

description: Small molecule binding data for protein Protein mono-ADP-ribosyltransferase TIPARP, Uniprot Q7Z3E1
DOI: 10.7270/q2v69nq4
title: BindingDB Entry 10092: Substituted imidazo[1,2-c]pyrimidines as PRC2 inhibitors

description: Small molecule binding data for protein Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2, Uniprot O75530, Q09028, Q15022, Q15910, and Q6ZN18
DOI: 10.7270/q2v69nrk
title: BindingDB Entry 10301: TYK2 inhibitors and uses thereof

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 [556-888], Uniprot P29597
DOI: 10.7270/q2v69ns1
title: BindingDB Entry 10688: Inhibiting mutant IDH-1

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] and Isocitrate dehydrogenase [NADP] cytoplasmic [R132H], Uniprot O75874
DOI: 10.7270/q2v69ntg
title: BindingDB Entry 50006864: Exploring the Natural Piericidins as Anti-Renal Cell Carcinoma Agents Targeting Peroxiredoxin 1.

description: Small molecule binding data for protein Peroxiredoxin-1, Uniprot Q06830
DOI: 10.7270/q2v69nvx
title: BindingDB Entry 50007468: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot O42275, P05979, P06276, P22303, and P79208
DOI: 10.7270/q2v69nwc
title: BindingDB Entry 50007793: Comparative analysis of stilbene and benzofuran neolignan derivatives as acetylcholinesterase inhibitors with neuroprotective and anti-inflammatory activities.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2v69nxt
title: BindingDB Entry 50008077: Cinnamamide: An insight into the pharmacological advances and structure-activity relationships.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, B2 bradykinin receptor, Beta-secretase 1, Epidermal growth factor receptor, P-selectin, Telomerase reverse transcriptase, and Vascular endothelial growth factor receptor 2, Uniprot O14746, O70526, P00533, P16109, P27338, P30411, P35968, and P56817
DOI: 10.7270/q2v69nz8
title: BindingDB Entry 50008395: Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, Uniprot O00408, P40989, Q08499, Q14432, and Q9Y233
DOI: 10.7270/q2v69p04
title: BindingDB Entry 50008707: Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-2-like protein 1, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2v69p1k
title: BindingDB Entry 50009046: Anti-tumor activity evaluation of novel tubulin and HDAC dual-targeting inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2v69p21
title: BindingDB Entry 50009671: A New Approach of Mitigating CYP3A4 Induction Led to the Discovery of Potent Hepatitis B Virus (HBV) Capsid Inhibitor with Optimal ADMET Profiles.

description: Small molecule binding data for protein Capsid protein, Uniprot Q03732
DOI: 10.7270/q2v69p3g
title: BindingDB Entry 50010255: Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase, H3 lysine-79 specific, Uniprot Q8TEK3
DOI: 10.7270/q2v69p4x
title: BindingDB Entry 50010859: Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A4, and Envelope glycoprotein, Uniprot P08684, P11712, and Q05320
DOI: 10.7270/q2v69p5c
title: BindingDB Entry 50011193: Discovery of Potent, Selective, and State-Dependent Na

description: Small molecule binding data for protein Sodium channel protein type 2 subunit alpha, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 9 subunit alpha, Uniprot Q14524, Q15858, Q62205, and Q99250
DOI: 10.7270/q2v69p6t
title: BindingDB Entry 50011500: Recent developments of small molecule γ-secretase modulators for Alzheimer's disease.

description: Small molecule binding data for protein Presenilin-1, Uniprot P49768
DOI: 10.7270/q2v69p78
title: BindingDB Entry 50011823: Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2v69p8q
title: BindingDB Entry 50012439: Discovery of a Highly Selective and Potent TRPC3 Inhibitor with High Metabolic Stability and Low Toxicity.

description: Small molecule binding data for protein Short transient receptor potential channel 3, Uniprot Q13507 and Q9QZC1
DOI: 10.7270/q2v69p95
title: BindingDB Entry 50013086: Design, synthesis and pharmacological evaluation of bicyclic and tetracyclic pyridopyrimidinone analogues as new KRAS

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q2v69pbm
title: BindingDB Entry 50013740: One-step modification to identify dual-inhibitors targeting both pancreatic triglyceride lipase and Niemann-Pick C1-like 1.

description: Small molecule binding data for protein Pancreatic triacylglycerol lipase, Uniprot P16233
DOI: 10.7270/q2v69pc2
title: BindingDB Entry 50014376: Discovery of Imidazole-Based Inhibitors of

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P08684, P10635, and P11712
DOI: 10.7270/q2v69pdh
title: BindingDB Entry 50014735: Targeting KRAS G12D Mutant for the Potential Treatment of Pancreatic Cancer.

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q2v98c4v
title: BindingDB Entry 9109: Bicyclic compounds as dual ATX/CA inhibitors

description: Small molecule binding data for protein Ataxin-2 and Carbonic anhydrase 2, Uniprot P00918 and Q99700
DOI: 10.7270/q2v98c59
title: BindingDB Entry 9496: Processes for preparing ATR inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase ATR, Uniprot Q13535
DOI: 10.7270/q2v98c6r
title: BindingDB Entry 9883: Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease

description: Small molecule binding data for protein GTPase KRas [G12D,Q61H], Uniprot P01116
DOI: 10.7270/q2v98c76
title: BindingDB Entry 10270: Amino-triazolopyridine compounds and their use in treating cancer

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, DNA-dependent protein kinase catalytic subunit, Dual specificity protein kinase TTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O14965, O60674, P23458, P33981, P52333, P78527, and Q96GD4
DOI: 10.7270/q2v98c8n
title: BindingDB Entry 10479: 1,8-naphthyridinone compounds and uses thereof

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P29274
DOI: 10.7270/q2v98c93
title: BindingDB Entry 10657: Prodrugs of modulators of the NMDA receptor

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 1, Uniprot Q05586
DOI: 10.7270/q2v98cbj
title: BindingDB Entry 10866: 3-substituted piperidine compounds for Cbl-b inhibition, and use thereof

description: Small molecule binding data for protein Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427] , Uniprot Q13191
DOI: 10.7270/q2v98cc0
title: BindingDB Entry 50007132: Tau Tubulin Kinase 1 (TTBK1), a new player in the fight against neurodegenerative diseases.

description: Small molecule binding data for protein Tau-tubulin kinase 1, Tau-tubulin kinase 2, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot P17948, P35968, Q5TCY1, and Q6IQ55
DOI: 10.7270/q2v98cdf
title: BindingDB Entry 50007751: Structure Overhaul Affords a Potent Purine PI3Kδ Inhibitor with Improved Tolerability.

description: Small molecule binding data for protein Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A/cAMP-specific 3',5'-cyclic phosphodiesterase 7B, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, O43924/P16499/P18545/P35913/P51160/Q13956, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00329, O00408, O43924, O60658, O76074, O76083, P16499, P18545, P27815, P27986, P35913, P42336, P51160, P54750, Q01064, Q07343, Q08493, Q08499, Q13370, Q13946, Q13956, Q14123, Q14432, Q9HCR9, Q9NP56, and Q9Y233
DOI: 10.7270/q2v98cfw
title: BindingDB Entry 50008345: Triazolopyrimidine and triazolopyridine scaffolds as TDP2 inhibitors.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 2, Uniprot O95551
DOI: 10.7270/q2v98cgb
title: BindingDB Entry 50008998: Design, synthesis and biological evaluation of novel thioquinazolinone-based 2-aminobenzamide derivatives as potent histone deacetylase (HDAC) inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 2, and Histone deacetylase 6, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2v98chs
title: BindingDB Entry 50009340: Discovery of 8-Methyl-pyrrolo[1,2-

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Histone acetyltransferase p300, Uniprot O60885, P05177, P08684, P10635, P11712, P25440, P33261, Q09472, Q15059, and Q58F21
DOI: 10.7270/q2v98cj7
title: BindingDB Entry 50009613: Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot P23219, P34913, P34914, P35354, and P80299
DOI: 10.7270/q2v98ckp
title: BindingDB Entry 50009953: Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot O00329, O35904, P40989, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2v98cm4
title: BindingDB Entry 50010517: -Acylethanolamine Acid Amidase (NAAA): Structure, Function, and Inhibition.

description: Small molecule binding data for protein N-acylethanolamine-hydrolyzing acid amidase, Uniprot Q02083 and Q5KTC7
DOI: 10.7270/q2v98cnk
title: BindingDB Entry 50011144: Design and synthesis of dansyl-labeled inhibitors of steroid sulfatase for optical imaging.

description: Small molecule binding data for protein Steryl-sulfatase, Uniprot P08842
DOI: 10.7270/q2v98cp1
title: BindingDB Entry 50011773: The optimization of xanthine derivatives leading to HBK001 hydrochloride as a potent dual ligand targeting DPP-IV and GPR119.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Dipeptidyl peptidase 4, and Glucose-dependent insulinotropic receptor, Uniprot P27487, P40989, and Q8TDV5
DOI: 10.7270/q2v98cqg
title: BindingDB Entry 50012118: Design, Synthesis, and Pharmacological Evaluation of Analogues Derived from the PLEV Tetrapeptide as Protein-Protein Interaction Modulators of Voltage-Gated Sodium Channel 1.6.

description: Small molecule binding data for protein Fibroblast growth factor 14 and Sodium channel protein type 8 subunit alpha, Uniprot Q92915 and Q9UQD0
DOI: 10.7270/q2v98crx
title: BindingDB Entry 50012396: A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma.

description: Small molecule binding data for protein Syntenin-1, Uniprot O00560
DOI: 10.7270/q2v98csc
title: BindingDB Entry 50012735: Discovery of BMS-986235/LAR-1219: A Potent Formyl Peptide Receptor 2 (FPR2) Selective Agonist for the Prevention of Heart Failure.

description: Small molecule binding data for protein Cytochrome P450 3A4, Formyl peptide receptor 2, N-formyl peptide receptor 2, and fMet-Leu-Phe receptor, Uniprot O88536, P08684, P21462, P25090, and P33766
DOI: 10.7270/q2v98ctt
title: BindingDB Entry 50013392: Scaffold hopping of the SYK inhibitor entospletinib leads to broader targeting of the BCR signalosome.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK and Tyrosine-protein kinase SYK, Uniprot P43405 and Q06187
DOI: 10.7270/q2v98cv8
title: BindingDB Entry 50014019: Design, synthesis and biological evaluation of double fatty chain-modified glucagon-like peptide-1 conjugates.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor, Uniprot P43220
DOI: 10.7270/q2v98cwq
title: BindingDB Entry 50014681: Structure-activity relationship investigation for imidazopyrazole-3-carboxamide derivatives as novel selective inhibitors of Bruton's tyrosine kinase.

description: Small molecule binding data for protein Cytochrome P450 3A4, Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Receptor tyrosine-protein kinase erbB-4, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK3, and Tyrosine-protein kinase Lck, Uniprot P00533, P06239, P08684, P51451, P51813, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q2vd72g8
title: BindingDB Entry 9078: Compounds, compositions and methods

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546
DOI: 10.7270/q2vd72hq
title: BindingDB Entry 9287: 1,1 ′-sulfanediyl-di-beta-D-galactopyranosides as inhibitors of galectins

description: Small molecule binding data for protein Galectin-1 and Galectin-3, Uniprot P09382 and P17931
DOI: 10.7270/q2vd72j5
title: BindingDB Entry 9465: Immunomodulator compounds and methods of use

description: Small molecule binding data for protein Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167], Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2vd72km
title: BindingDB Entry 9674: Kinase inhibitors for the treatment of disease

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2vd72m2
title: BindingDB Entry 10061: Isoquinoline-steroid conjugates and uses thereof

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit beta, Non-receptor tyrosine-protein kinase TYK2, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C epsilon type, RAC-alpha serine/threonine-protein kinase, Rho-associated protein kinase 1, Rho-associated protein kinase 2, Tumor necrosis factor, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and cAMP-dependent protein kinase catalytic subunit alpha, Uniprot O14920, O60674, O75116, P01375, P17252, P17612, P23458, P29597, P31749, P52333, Q02156, Q05655, and Q13464
DOI: 10.7270/q2vd72nh
title: BindingDB Entry 10448: Isoquinoline amine compounds as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction

description: Small molecule binding data for protein Metabotropic glutamate receptor 4, Uniprot Q14833
DOI: 10.7270/q2vd72pz
title: BindingDB Entry 10835: Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer

description: Small molecule binding data for protein Rho-associated protein kinase 1, Rho-associated protein kinase 2, Serine/threonine-protein kinase MRCK alpha, and Serine/threonine-protein kinase MRCK beta, Uniprot O75116, Q13464, Q5VT25, and Q9Y5S2
DOI: 10.7270/q2vd72qd
title: BindingDB Entry 50006822: Novel monoamine oxidase inhibitors based on the privileged 2-imidazoline molecular framework.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2vd72rv
title: BindingDB Entry 50007083: Discovery of a Highly Selective and Potent κ Opioid Receptor Agonist from

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P33533, P33535, and P41145
DOI: 10.7270/q2vd72s9
title: BindingDB Entry 50007421: Oleanolic Acid Derivatives as Potential Inhibitors of HIV-1 Protease.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2vd72tr
title: BindingDB Entry 50008025: Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Isocitrate dehydrogenase [NADP] cytoplasmic, and Isocitrate dehydrogenase [NADP], mitochondrial, Uniprot O75874, P40989, and P48735
DOI: 10.7270/q2vd72v6
title: BindingDB Entry 50008652: Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q2vd72wn
title: BindingDB Entry 50009300: Subtype Selective γ-Aminobutyric Acid Type A Receptor (GABA

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-2, Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2, and Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2, Uniprot P14867, P18507, P28472, P31644, P34903, and P47869
DOI: 10.7270/q2vd72x3
title: BindingDB Entry 50009903: Discovery of New Monocarbonyl Ligustrazine-Curcumin Hybrids for Intervention of Drug-Sensitive and Drug-Resistant Lung Cancer.

description: Small molecule binding data for protein Thioredoxin reductase 3, Uniprot Q86VQ6
DOI: 10.7270/q2vd72zj
title: BindingDB Entry 50010215: Discovery of 2-((3-cyanopyridin-2-yl)thio)acetamides as human lactate dehydrogenase A inhibitors to reduce the growth of MG-63 osteosarcoma cells: Virtual screening and biological validation.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338
DOI: 10.7270/q2vd730d
title: BindingDB Entry 50010475: Discovery of indane propanamides as potent and selective TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q704Y3 and Q8NER1
DOI: 10.7270/q2vd731v
title: BindingDB Entry 50010807: Synthesis and biological investigation of triazolopyridinone derivatives as potential multireceptor atypical antipsychotics.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, Alpha-1A adrenergic receptor, D(2) dopamine receptor, Histamine H1 receptor, Muscarinic acetylcholine receptor M3, and Sodium-dependent serotonin transporter, Uniprot P08908, P14416, P20309, P28223, P28335, P31645, P35348, P35367, and P40989
DOI: 10.7270/q2vd7329
title: BindingDB Entry 50011439: Design, Synthesis, and Structure-Activity Relationships of Indoline-Based Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-Like 2 (Keap1-Nrf2) Protein-Protein Interaction Inhibitors.

description: Small molecule binding data for protein Kelch-like ECH-associated protein 1 and Nuclear factor erythroid 2-related factor 2, Uniprot Q14145 and Q16236
DOI: 10.7270/q2vd733r
title: BindingDB Entry 50012069: Discovery of 1-(1H-indazol-4-yl)-3-((1-phenyl-1H-pyrazol-5-yl)methyl) ureas as potent and thermoneutral TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1