cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2rb7836
title: BindingDB Entry 50009991: 8-Substituted 1,3-dimethyltetrahydropyrazino[2,1-f]purinediones: Water-soluble adenosine receptor antagonists and monoamine oxidase B inhibitors.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, Amine oxidase [flavin-containing] A, and Amine oxidase [flavin-containing] B, Uniprot P0DMS8, P19643, P21397, P25099, P27338, P29274, P29275, P30542, and P30543
DOI: 10.7270/q2rb784n
title: BindingDB Entry 50010292: Design and molecular modeling of novel P38α MAPK inhibitors targeting breast cancer, synthesized from oxygen heterocyclic natural compounds.

description: Small molecule binding data for protein Mitogen-activated protein kinase 11/12/13/14, Uniprot O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2rb7853
title: BindingDB Entry 50010552: Lysine demethylase 5B (KDM5B): A potential anti-cancer drug target.

description: Small molecule binding data for protein Lysine-specific demethylase 5B and Lysine-specific demethylase 5C, Uniprot P41229 and Q9UGL1
DOI: 10.7270/q2rb786j
title: BindingDB Entry 50010908: Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 4B1, Indoleamine 2,3-dioxygenase 1, Nuclear receptor subfamily 1 group I member 2, and Tryptophan 2,3-dioxygenase, Uniprot O75469, P13584, P14902, and P48775
DOI: 10.7270/q2rb7870
title: BindingDB Entry 50011533: Synthesis, Biological, and Structural Explorations of New Zwitterionic Derivatives of 14- O-Methyloxymorphone, as Potent μ/δ Opioid Agonists and Peripherally Selective Antinociceptives.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P33533, P33535, P35372, P41143, P41144, and P41145
DOI: 10.7270/q2rb788f
title: BindingDB Entry 50012152: Peptide Inhibitors of the α-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction.

description: Small molecule binding data for protein Alpha-cobratoxin, Uniprot P01391
DOI: 10.7270/q2rb789w
title: BindingDB Entry 50012770: Modulation of TRPV4 and BKCa for treatment of brain diseases.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 4, Uniprot Q9EPK8, Q9ERZ8, and Q9HBA0
DOI: 10.7270/q2rb78bb
title: BindingDB Entry 50013427: Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors.

description: Small molecule binding data for protein Oxysterols receptor LXR-alpha and Oxysterols receptor LXR-beta, Uniprot P55055 and Q13133
DOI: 10.7270/q2rb78cs
title: BindingDB Entry 50013773: Discovery of new tranylcypromine derivatives as highly potent LSD1 inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2rb78d7
title: BindingDB Entry 50014066: Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.

description: Small molecule binding data for protein Galectin-1, Galectin-2, Galectin-3, Galectin-4, Galectin-8, and Galectin-9, Uniprot O00182, O00214, P05162, P09382, P17931, and P56470
DOI: 10.7270/q2rb78fp
title: BindingDB Entry 50014421: Development of MDM2 degraders based on ligands derived from Ugi reactions: Lessons and discoveries.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2rf5z29
title: BindingDB Entry 9311: Apoptosis signal-regulating kinase inhibitors

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q2rf5z3r
title: BindingDB Entry 9698: Immunomodulator compounds

description: Small molecule binding data for protein Programmed cell death protein 1, Uniprot Q15116
DOI: 10.7270/q2rf5z46
title: BindingDB Entry 9907: C5-C6-oxacyclic fused iminothiazine dioxide compounds bearing an ether linker as BACE inhibitors, compositions, and their use

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2, Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2rf5z5n
title: BindingDB Entry 10085: PI-kinase inhibitors with anti-infective activity

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4-kinase alpha, Phosphatidylinositol 4-kinase beta, and Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta, Uniprot O00750, O75747, P42336, P42356, P48736, and Q9UBF8
DOI: 10.7270/q2rf5z63
title: BindingDB Entry 10294: Isoquinolin-3-yl carboxamides and preparation and use thereof

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A and Glycogen synthase kinase-3 beta, Uniprot P49841 and Q13627
DOI: 10.7270/q2rf5z7j
title: BindingDB Entry 10681: Substituted pyrazoles as LRRK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2rf5z80
title: BindingDB Entry 50006855: Design, Synthesis, and Biological Evaluation of 4-Methyl Quinazoline Derivatives as Anticancer Agents Simultaneously Targeting Phosphoinositide 3-Kinases and Histone Deacetylases.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 8, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 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 gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P27986, P40989, P42336, P42338, P42345, P48736, P56524, Q13547, Q92769, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q2rf5z9f
title: BindingDB Entry 50007458: Discovery of a New Sulfonamide Hepatitis B Capsid Assembly Modulator.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, P33261, and P40989
DOI: 10.7270/q2rf5zbw
title: BindingDB Entry 50007785: Synthesis, pharmacological evaluation, and mechanistic study of adefovir mixed phosphonate derivatives bearing cholic acid and l-amino acid moieties for the treatment of HBV.

description: Small molecule binding data for protein Solute carrier family 22 member 6, Uniprot Q4U2R8
DOI: 10.7270/q2rf5zcb
title: BindingDB Entry 50008063: Targeting IRAK4 for Degradation with PROTACs.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 1 and Interleukin-1 receptor-associated kinase 4, Uniprot P51617 and Q9NWZ3
DOI: 10.7270/q2rf5zds
title: BindingDB Entry 50008385: The role of N-terminal heterocycles in hydrogen bonding to α-chymotrypsin.

description: Small molecule binding data for protein Calpain-2 catalytic subunit, Uniprot P17655
DOI: 10.7270/q2rf5zf7
title: BindingDB Entry 50008698: Design, synthesis and biological evaluation of novel benzothiadiazine derivatives as potent PI3Kδ-selective inhibitors for treating B-cell-mediated malignancies.

description: Small molecule binding data for protein 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 beta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2rf5zgp
title: BindingDB Entry 50009034: Investigating 1,2,3,4,5,6-hexahydroazepino[4,3-b]indole as scaffold of butyrylcholinesterase-selective inhibitors with additional neuroprotective activities for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q2rf5zh4
title: BindingDB Entry 50009660: Synthesis, Purification, and Selective β

description: Small molecule binding data for protein Alpha-1B adrenergic receptor, Beta-1 adrenergic receptor, and Beta-2 adrenergic receptor, Uniprot P07550, P08588, P35368, and Q8K4Z4
DOI: 10.7270/q2rf5zjk
title: BindingDB Entry 50010245: Design and synthesis of cis-restricted benzimidazole and benzothiazole mimics of combretastatin A-4 as antimitotic agents with apoptosis inducing ability.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2rf5zk1
title: BindingDB Entry 50010849: Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORγt.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma, Uniprot P05177, P08684, P10632, P10635, P11712, P33261, P40989, P51449, and Q92753
DOI: 10.7270/q2rf5zmg
title: BindingDB Entry 50011186: Discovery of novel heat shock protein (Hsp90) inhibitors based on luminespib with potent antitumor activity.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q2rf5znx
title: BindingDB Entry 50011481: Discovery of PEGylated 6-Benzhydryl-4-amino-quinazolines as Peripherally Restricted CB

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2rf5zpc
title: BindingDB Entry 50011812: Design, synthesis, and pharmacological evaluation of 4- or 6-phenyl-pyrimidine derivatives as novel and selective Janus kinase 3 inhibitors.

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, P52333, and Q62137
DOI: 10.7270/q2rf5zqt
title: BindingDB Entry 50012429: Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors.

description: Small molecule binding data for protein Bifunctional purine biosynthesis protein ATIC, Folate receptor alpha, Folate receptor beta, Proton-coupled folate transporter, and Reduced folate transporter, Uniprot P14207, P15328, P31939, P41440, and Q96NT5
DOI: 10.7270/q2rf5zr8
title: BindingDB Entry 50013062: Targeting the K

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2rf5zsq
title: BindingDB Entry 50013729: Discovery and characterization of a novel glucose-6-phosphate dehydrogenase (G6PD) inhibitor via high-throughput screening.

description: Small molecule binding data for protein Glucose-6-phosphate 1-dehydrogenase, Uniprot P11413
DOI: 10.7270/q2rf5zt5
title: BindingDB Entry 50014365: Heterocyclic Compounds as Dihydroorotate Dehydrogenase Inhibitors for Treating Acute Myelogenous Leukemia (AML).

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2rf5zvm
title: BindingDB Entry 50014724: Screening Hit to Clinical Candidate: Discovery of BMS-963272, a Potent, Selective MGAT2 Inhibitor for the Treatment of Metabolic Disorders.

description: Small molecule binding data for protein Acyl-CoA wax alcohol acyltransferase 2, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase, Diacylglycerol O-acyltransferase 1, and Stanniocalcin-1, Uniprot O55183, O75907, P52823, Q09326, Q09327, Q10469, Q6E213, and Q921V5
DOI: 10.7270/q2rj4nh2
title: BindingDB Entry 9102: Biaryl urea derivative or salt thereof and preparation process and use for the same

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q2rj4njh
title: BindingDB Entry 9489: 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.6084/m9.figshare.22178636
title: Planted mangrove sediment carbon accumulation

description: The chrono-sequential approach is considered a ‘natural experiment’ which can be applied to relatively younger mangrove sites where the temporal pattern resembles the development of older sites. The use of observations based on this approach has advanced our understanding of short-term temporal dynamics in planted or restored mangrove. Overall, the paper provides estimates of blue carbon in relatively understudied restored mangrove forests
DOI: 10.7270/q2rj4nkz
title: BindingDB Entry 9876: Substituted dihydrobenzofuran glycosidase inhibitors

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502
DOI: 10.6084/m9.figshare.22178636.v1
title: Mangrove Chrono sequence

description: The chrono-sequential approach is considered a ‘natural experiment’ which can be applied to relatively younger mangrove sites where the temporal pattern resembles the development of older sites. The use of observations based on this approach has advanced our understanding of short-term temporal dynamics in planted or restored mangrove. Overall, the paper provides estimates of blue carbon in relatively understudied restored mangrove forests
DOI: 10.7270/q2rj4nmd
title: BindingDB Entry 10263: Pyrrolopyrimidine derivatives as TAM inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase Mer, Tyrosine-protein kinase receptor TYRO3, and Tyrosine-protein kinase receptor UFO, Uniprot O00329, P23458, P30530, Q06418, and Q12866
DOI: 10.7270/q2rj4nnv
title: BindingDB Entry 10472: N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor [1-18,20-1210,T790M,C797S], Epidermal growth factor receptor [1-18,20-1210,T790M], and Epidermal growth factor receptor [1-18,20-1210], Uniprot P00533
DOI: 10.7270/q2rj4np9
title: BindingDB Entry 10650: TGF-beta inhibitors

description: Small molecule binding data for protein TGF-beta receptor type-1 and TGF-beta receptor type-2, Uniprot P36897 and P37173
DOI: 10.7270/q2rj4nqr
title: BindingDB Entry 10859: Imidazopyridazine and imidazopyridine compounds and uses thereof

description: Small molecule binding data for protein Activin receptor type-1 [147-509], Uniprot Q04771
DOI: 10.7270/q2rj4nr6
title: BindingDB Entry 50007123: Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic, Uniprot O75874
DOI: 10.7270/q2rj4nsn
title: BindingDB Entry 50007738: Exploring the PROTAC degron candidates: OBHSA with different side chains as novel selective estrogen receptor degraders (SERDs).

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor beta, Uniprot P03372 and Q92731
DOI: 10.7270/q2rj4nt3
title: BindingDB Entry 50008336: Design, synthesis and evaluation of N

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O54735 and O76074
DOI: 10.7270/q2rj4nvj
title: BindingDB Entry 50008990: Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma.

description: Small molecule binding data for protein Activated CDC42 kinase 1, Cyclin-G-associated kinase, Epidermal growth factor receptor, Proto-oncogene tyrosine-protein kinase receptor Ret, Serine/threonine-protein kinase D2, Serine/threonine-protein kinase SIK2, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase ABL2, Uniprot O14976, P00519, P00533, P07949, P42684, Q07912, Q9BZL6, and Q9H0K1
DOI: 10.7270/q2rj4nw0
title: BindingDB Entry 50009331: Calorimetric Studies of Binary and Ternary Molecular Interactions between Transthyretin, Aβ Peptides, and Small-Molecule Chaperones toward an Alternative Strategy for Alzheimer's Disease Drug Discovery.

description: Small molecule binding data for protein Transthyretin, Uniprot P02766
DOI: 10.7270/q2rj4nxf
title: BindingDB Entry 50009603: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Protein-tyrosine kinase 6, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase FRK, Tyrosine-protein kinase Fgr, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase Lck, Tyrosine-protein kinase TXK, and Tyrosine-protein kinase Tec, Uniprot P00533, P04626, P05177, P06239, P08684, P09769, P10632, P10635, P11712, P20813, P33261, P42680, P42681, P42685, P51451, P51813, P52333, Q06187, Q08881, Q13882, and Q15303
DOI: 10.7270/q2rj4nzw
title: BindingDB Entry 50009946: Design, synthesis, and evaluation of 4,6-diaminonicotinamide derivatives as novel and potent immunomodulators targeting JAK3.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P40989, and P52333
DOI: 10.7270/q2rj4p0r
title: BindingDB Entry 50010504: Isolation and Structural Characterization of Specific Bacterial β-Glucuronidase Inhibitors from Noni (

description: Small molecule binding data for protein Beta-glucuronidase, Uniprot P05804
DOI: 10.7270/q2rj4p16
title: BindingDB Entry 50011135: Novel cilengitide-based cyclic RGD peptides as αvβ

description: Small molecule binding data for protein Integrin alpha-5/beta-1, Integrin alpha-IIb/beta-3, Integrin alpha-V/beta-3, Integrin alpha-V/beta-5, Integrin alpha-V/beta-6, and Integrin alpha-V/beta-8, Uniprot P05106, P05556, P06756, P08514, P08648, P18084, P18564, and P26012
DOI: 10.7270/q2rj4p2n
title: BindingDB Entry 50011764: A 18β-glycyrrhetinic acid conjugate with Vorinostat degrades HDAC3 and HDAC6 with improved antitumor effects.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, and Histone deacetylase 6, Uniprot O15379, Q13547, Q92769, Q9UBN7, and Q9Y618
DOI: 10.7270/q2rj4p33
title: BindingDB Entry 50012107: Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Lysine-specific histone demethylase 1A, Uniprot O60341 and P40989
DOI: 10.7270/q2rj4p4j
title: BindingDB Entry 50012379: Design, synthesis and biological evaluation of novel 2,4-diaryl pyrimidine derivatives as selective EGFR

description: Small molecule binding data for protein Angiopoietin-1 receptor, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Mast/stem cell growth factor receptor Kit, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3, Tyrosine-protein kinase receptor UFO, Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot P00533, P07949, P08581, P10721, P11362, P17948, P30530, P35916, P35968, P36888, and Q02763
DOI: 10.7270/q2rj4p50
title: BindingDB Entry 50012725: Dual-Target Inhibitors Based on HDACs: Novel Antitumor Agents for Cancer Therapy.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Epidermal growth factor receptor, Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 3, Histone deacetylase 6, and Vascular endothelial growth factor receptor 2, Uniprot O15379, O60885, P00533, P35968, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2rj4p6f
title: BindingDB Entry 50013010: New imidazopyridines with phosphodiesterase 4 and 7 inhibitory activity and their efficacy in animal models of inflammatory and autoimmune diseases.

description: Small molecule binding data for protein Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O76074, Q01064, Q07343, Q08499, Q13946, Q14432, and Q9Y233
DOI: 10.7270/q2rj4p7w
title: BindingDB Entry 50013384: Bioisosterism-based design and enantiomeric profiling of chiral hydroxyl-substituted biphenyl-diarylpyrimidine nonnucleoside HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2rj4p8b
title: BindingDB Entry 50014007: Acyclic nucleoside phosphonates with 2-aminothiazole base as inhibitors of bacterial and mammalian adenylate cyclases.

description: Small molecule binding data for protein Calmodulin-sensitive adenylate cyclase, Uniprot P40136
DOI: 10.7270/q2rj4p9s
title: BindingDB Entry 50014670: Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Indoleamine 2,3-dioxygenase 1, and Potassium voltage-gated channel subfamily H member 2, Uniprot P08684, P10635, P11712, P14902, P28776, and Q12809
DOI: 10.7270/q2rn3bwx
title: BindingDB Entry 9071: Compounds for the treatment of pain

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2rn3bxc
title: BindingDB Entry 9280: Inhibitors of plasma kallikrein and uses thereof

description: Small molecule binding data for protein Plasma kallikrein, Uniprot P03952
DOI: 10.7270/q2rn3bzt
title: BindingDB Entry 9458: Bicyclic compounds as ATX inhibitors

description: Small molecule binding data for protein Ataxin-1, Uniprot P54253
DOI: 10.7270/q2rn3c0p
title: BindingDB Entry 9667: Phosphodiesterase inhibitors and uses thereof

description: Small molecule binding data for protein Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074 and P16499