cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2g15zn9
title: BindingDB Entry 7309: Deazaflavin Inhibitors of Tyrosyl-DNA Phosphodiesterase 2 (TDP2) Specific for the Human Enzyme and Active against Cellular TDP2.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT), Tyrosyl-DNA phosphodiesterase 2 mutant 5M (mTDP2 5M), Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M), Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M), and tyrosyl-DNA phosphodiesterase 2, Uniprot O95551 and Q9JJX7
DOI: 10.7270/q2h130q5
title: BindingDB Entry 6702: Pyrimidine-substituted pyrrolidine derivatives, pharmaceutical compositions and uses thereof

description: Small molecule binding data for protein Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763
DOI: 10.7270/q2ks6qb8
title: BindingDB Entry 7308: Inhibitor Discovery for the Human GLUT1 from Homology Modeling and Virtual Screening.

description: Small molecule binding data for protein Glucose Transporter 1 (hGLUT1), Uniprot P11166
DOI: 10.7270/q2ms3rgn
title: BindingDB Entry 6701: Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O60674, P12931, and P23458
DOI: 10.7270/q2qf8rpq
title: BindingDB Entry 7307: Inhibition of Zinc-Dependent Histone Deacetylases with a Chemically Triggered Electrophile.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8 (HDAC8), Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2rj4h6c
title: BindingDB Entry 6700: Pyrrolopyrimidine compounds and their uses

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, and Cyclin-dependent kinase 4, Uniprot P06493, P11802, and P24941
DOI: 10.7270/q2v69hc0
title: BindingDB Entry 7306: Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.

description: Small molecule binding data for protein Bromodomain-containing protein 4 and CREB-binding protein/p53, Uniprot O60885 and Q92793
DOI: 10.7270/q2w957w7
title: BindingDB Entry 6699: Substituted imidazopyridinyl-aminopyridine compounds

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2028q75
title: BindingDB Entry 6706: Phenoxyethyl piperidine compounds

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P34995, P35408, P43115, and P43116
DOI: 10.7270/q21r6p93
title: BindingDB Entry 7320: The Synthesis of 1,3,5-triazine Derivatives and JNJ7777120 Analogues with Histamine H4 Receptor Affinity and Their Interaction with PTEN Promoter.

description: Small molecule binding data for protein Histamine receptor (H4), Uniprot Q9H3N8
DOI: 10.7270/q22r3qfg
title: BindingDB Entry 7312: 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q23r0rm9
title: BindingDB Entry 6705: Compounds for the treatment of hepatitis C

description: Small molecule binding data for protein RNA polymerase (NS5B), Uniprot Q9WMX2
DOI: 10.7270/q25h7f28
title: BindingDB Entry 7319: Inhibition of HIV-1 Reverse Transcriptase Dimerization by Small Molecules.

description: Small molecule binding data for protein Gag-Pol polyprotein (Capsid Protein), Uniprot P12497
DOI: 10.7270/q26h4g6n
title: BindingDB Entry 7311: Amidopyrazole inhibitors of interleukin receptor-associated kinases

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4, Uniprot Q9NWZ3
DOI: 10.7270/q27h1h9k
title: BindingDB Entry 6704: Tricyclic compounds and PBK inhibitors containing the same

description: Small molecule binding data for protein PDZ-binding kinase, Uniprot Q96KB5
DOI: 10.7270/q29885t1
title: BindingDB Entry 7318: Pyrimidinylpiperidinyloxypyridone analogues as GPR119 modulators

description: Small molecule binding data for protein Human-mouse GPR119
DOI: 10.7270/q2c8280v
title: BindingDB Entry 6703: Peripherally acting opioid compounds

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2f18xjc
title: BindingDB Entry 7317: TSH receptor antagonizing tetrahydroquinoline compounds

description: Small molecule binding data for protein Thyroid-stimulating hormone receptor (TSH) and Thyroid-stimulating hormone subunit beta (bTSH), Uniprot P01223 and P16473
DOI: 10.7270/q2g15zjz
title: BindingDB Entry 6710: Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2js9p8s
title: BindingDB Entry 7316: Phospholipid drug analogs

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Cytochrome P450 3A, and Cytochrome P450 3A5 (CYP3A5), Uniprot P05177, P05181, P08684, P10632, P10635, P11712, P20813, P20815, and P33261
DOI: 10.7270/q2ks6q8c
title: BindingDB Entry 6709: Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics

description: Small molecule binding data for protein Stearoyl-CoA desaturase 1, Uniprot O00767
DOI: 10.7270/q2pk0dz6
title: BindingDB Entry 7315: Inhibitors of phosphodiesterase 11 (PDE11)

description: Small molecule binding data for protein Phosphodiesterase 1, Phosphodiesterase 11A (PDE11A), Phosphodiesterase 2A (PDE2A2), Phosphodiesterase 3 (PDE3), Phosphodiesterase 4A (PDE4A1), Phosphodiesterase 6C (PDE6C), Phosphodiesterase 7, Phosphodiesterase 8, Phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O60658, O76074, O76083, P51160, Q01064, Q13946, Q14432, Q9HCR9, and Q9Y233
DOI: 10.7270/q2qj7g1j
title: BindingDB Entry 6708: Curcumin derivative

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2t72g75
title: BindingDB Entry 7314: Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2v986s9
title: BindingDB Entry 6707: Selective glycosidase inhibitors and uses thereof

description: Small molecule binding data for protein N-acetyl-beta-D-glucosaminidase (O-GlcNAcase), Uniprot O60502
DOI: 10.7270/q2z036x1
title: BindingDB Entry 7313: Mediators of hedgehog signaling pathways, compositions and uses related thereto

description: Small molecule binding data for protein Sonic hedgehog protein, Uniprot Q62226
DOI: 10.7270/q20r9n65
title: BindingDB Entry 7328: Indoline scaffold SHP-2 inhibitors and cancer treatment method

description: Small molecule binding data for protein Hematopoietic protein-tyrosine phosphatase (HEPTP) and Protein tyrosine phosphatase SHP-2 (SHP-2), Uniprot P35236 and Q06124
DOI: 10.7270/q22v2dvs
title: BindingDB Entry 6713: Heterocyclic compounds and uses thereof

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q24j0cwk
title: BindingDB Entry 7327: Buprenorphine analogs

description: Small molecule binding data for protein Kappa-type opioid receptor and Mu-type opioid receptor, Uniprot P35372 and P41145
DOI: 10.7270/q25m64f4
title: BindingDB Entry 6720: Inhibitors of PDE10

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q26m35j2
title: BindingDB Entry 6712: Methods and compositions of treating a flaviviridae family viral infection

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q28914nr
title: BindingDB Entry 7326: Synthesis of Novel Oxazolo[4,5-b]pyridine-2-one based 1,2,3-triazoles as Glycogen Synthase Kinase-3β Inhibitors with Anti-inflammatory Potential.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q29c6w41
title: BindingDB Entry 6719: Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors

description: Small molecule binding data for protein Dual specificity protein kinase TTK and Serine/threonine-protein kinase PIM, Uniprot P11309, P33981, and Q9P1W9
DOI: 10.7270/q2b856v2
title: BindingDB Entry 6711: Inhibitors of glutaminyl cyclase

description: Small molecule binding data for protein Glutaminyl Cyclase, Uniprot Q16769
DOI: 10.7270/q2d21wdj
title: BindingDB Entry 7325: A Dual Non-ATP Analogue Inhibitor of Aurora Kinases A and B, Derived from Resorcinol with a Mixed Mode of Inhibition.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Uniprot Q96GD4
DOI: 10.7270/q2ht2n4z
title: BindingDB Entry 7324: Synthesis, Biological Evaluation, and Molecular Docking of 8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene Analogs: New Dual AChE Inhibitors as Potential Drugs for the Treatment of Alzheimer's Disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2js9p5f
title: BindingDB Entry 6717: Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2nk3cv8
title: BindingDB Entry 7323: Discovery of Novel Allosteric Eg5 Inhibitors Through Structure-Based Virtual Screening.

description: Small molecule binding data for protein Mitotic kinesin Eg5 (Eg5)
DOI: 10.7270/q2pk0dw9
title: BindingDB Entry 6716: Pyridazinones, method of making, and method of use thereof

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2sb44jj
title: BindingDB Entry 7322: Some Anticancer Agents Act on Human Serum Paraoxonase-1 to Reduce Its Activity.

description: Small molecule binding data for protein Serum paraoxonase/arylesterase 1, Uniprot P27169
DOI: 10.7270/q2tb15ng
title: BindingDB Entry 6715: Morpholine derivative

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2x065vj
title: BindingDB Entry 7321: Arylazolyl(azinyl)thioacetanilides: Part 19: Discovery of Novel Substituted Imidazo[4,5-b]pyridin-2-ylthioacetanilides as Potent HIV NNRTIs Via a Structure-based Bioisosterism Approach.

description: Small molecule binding data for protein Gag-Pol polyprotein (Capsid Protein), Uniprot P12497
DOI: 10.7270/q2z31xd8
title: BindingDB Entry 6714: 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases

description: Small molecule binding data for protein CaM kinase II, Uniprot A0A024RDK3 and Q13557
DOI: 10.7270/q20v8bh4
title: BindingDB Entry 6729: Benzodioxole or benzodioxepine heterocyclic compounds as phosphodiesterase inhibitors

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4A, Uniprot P27815
DOI: 10.7270/q21v5cqd
title: BindingDB Entry 6721: Substituted pyrazolone compounds and methods of use

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P08581 and P35968
DOI: 10.7270/q23j3br6
title: BindingDB Entry 7335: Processes for the preparation of (R)-2-(7-4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[B]indol-3-yl)acetic acid and salts thereof

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Uniprot P21453
DOI: 10.7270/q27943fg
title: BindingDB Entry 7334: Substituted azoanthracene derivatives and intermediates for preparation thereof

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor (GLP-1), Uniprot P43220
DOI: 10.7270/q2c24v68
title: BindingDB Entry 7333: Methods and compositions for studying, imaging, and treating pain

description: Small molecule binding data for protein Voltage-gated sodium channel subunit alpha Nav1.4, Voltage-gated sodium channel subunit alpha Nav1.4 (I757A), and Voltage-gated sodium channel subunit alpha Nav1.4 (M1240A), Uniprot P15390
DOI: 10.7270/q2d50kp2
title: BindingDB Entry 6726: 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q2f18xgg
title: BindingDB Entry 6718: Substituted imidazo[1,2-a]pyrimidines and —pyridines

description: Small molecule binding data for protein AKT/p21CIP1 and Serine/threonine-protein kinase AKT, Uniprot P31749 and P31751
DOI: 10.7270/q2gt5kzq
title: BindingDB Entry 7332: 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2ht2n22
title: BindingDB Entry 6725: Aryl glycoside compound, preparation method and use thereof

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2mk6bpf
title: BindingDB Entry 7331: N-[4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides and their use as pharmaceuticals

description: Small molecule binding data for protein Serine/threonine-protein kinase Sgk1, Uniprot O00141
DOI: 10.7270/q2nk3crx
title: BindingDB Entry 6724: Pyrazolopyrrolidine derivatives and their use in the treatment of disease

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, and CREB-binding protein/p53, Uniprot O60885, P25440, Q15059, and Q92793
DOI: 10.7270/q2rb73d5
title: BindingDB Entry 7330: Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Uniprot P10415
DOI: 10.7270/q2sb44gn
title: BindingDB Entry 6723: Chromane compounds

description: Small molecule binding data for protein Beta-secretase 1 and Voltage-gated potassium channel, Uniprot P56817 and Q12809
DOI: 10.7270/q2v40t14
title: BindingDB Entry 7337: Fragment ligated inhibitors selective for the polo box domain of PLK1

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Uniprot P53350
DOI: 10.7270/q2w37v32
title: BindingDB Entry 7329: Macrocyclic factor VIIa inhibitors

description: Small molecule binding data for protein Coagulation factor VII, Uniprot P08709
DOI: 10.7270/q2x34w60
title: BindingDB Entry 6722: Phenyl derivative

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2 and Sphingosine 1-phosphate receptor 2 (S1P2), Uniprot O95136 and P47752
DOI: 10.7270/q2zw1jqp
title: BindingDB Entry 7336: Inhibitors of human EZH2, and methods of use thereof

description: Small molecule binding data for protein EZH2(Y641F), Histone-lysine N-methyltransferase EZH2, Histone-lysine N-methyltransferase EZH2 (A677G), Histone-lysine N-methyltransferase EZH2 (A687V), Histone-lysine N-methyltransferase EZH2 (Y641H), Histone-lysine N-methyltransferase EZH2 (Y641N), and Histone-lysine N-methyltransferase EZH2 (Y641S), Uniprot Q15910
DOI: 10.7270/q22n5120
title: BindingDB Entry 7343: 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha (PPAR alpha) and Peroxisome proliferator-activated receptor gamma (PPAR gamma)
DOI: 10.7270/q24m9389
title: BindingDB Entry 6728: Heterocyclic substituted pyrimidine compound

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q26972c0
title: BindingDB Entry 7342: mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGluR4), Uniprot Q14833
DOI: 10.7270/q27d2swv
title: BindingDB Entry 6735: Substituted cis- and trans-stilbenes as therapeutic agents

description: Small molecule binding data for protein Nuclear factor NF-kappa-B, Uniprot Q04206
DOI: 10.7270/q28c9v0n
title: BindingDB Entry 6727: 5-fluoro-3-phenyl-2[1-(9H-purin-6-ylamino)propyl]-3H-quinazolin-4-one and 6-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one as inhibitors of human phosphatidylinositol 3-kinase delta

description: Small molecule binding data for protein PI3-kinase subunit delta, Uniprot O00329
DOI: 10.7270/q2b27t2w
title: BindingDB Entry 7341: Phospholipid drug analogs

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Cytochrome P450 3A, and Cytochrome P450 3A5, Uniprot P05177, P05181, P08684, P10632, P10635, P11712, P20813, P20815, and P33261
DOI: 10.7270/q2c53jmk
title: BindingDB Entry 6734: CXCR2 inhibitors

description: Small molecule binding data for protein Interleukin-8 receptors, CXCR2, Uniprot P25025
DOI: 10.7270/q2cj8cc2
title: BindingDB Entry 8021: Studies of the Binding of Modest Modulators of the Human Enzyme, Sirtuin 6, by STD NMR.

description: Small molecule binding data for protein Sirtuin-6 (SIRT6), Uniprot Q8N6T7
DOI: 10.7270/q2ft8jtb
title: BindingDB Entry 7340: 5- or 6-substituted 3-hydroxy-2 (1 H)-pyridinones as D-amino acid oxidase (DAAO) inhibitors in therapy of diseases such as schizophrenia, cognitive disorder and pain

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot P14920
DOI: 10.7270/q2h9943s
title: BindingDB Entry 8020: Functional rescue of Kallmann syndrome-associated prokineticin receptor 2 (PKR2) mutants deficient in trafficking.

description: Small molecule binding data for protein Prokineticin 2 (PK2) and Prokineticin Receptor 2 (PKR2), Uniprot Q8NFJ6 and Q9HC23
DOI: 10.7270/q2kk99kh
title: BindingDB Entry 7339: Substituted N-phenethyltriazoloneacetamides and use thereof

description: Small molecule binding data for protein Vasopressin V1a receptor (V1a) and Vasopressin V2 receptor (V2), Uniprot P30518 and P37288
DOI: 10.7270/q2mk6bmj
title: BindingDB Entry 6732: Substituted seven-membered heterocyclic compounds as dipeptidyl peptidase-iv inhibitors for the treatment of diabetes

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2n29vtq
title: BindingDB Entry 8019: Oxysterol-binding protein (OSBP)-related protein 4 (ORP4) is essential for cell proliferation and survival.

description: Small molecule binding data for protein OSBP-related protein 4 (ORP4L) and OSBP-related protein 4 (ORP4S), Uniprot Q969R2
DOI: 10.7270/q2pc315d
title: BindingDB Entry 7346: Heteroaryl compounds as sodium channel blockers

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2qc029s
title: BindingDB Entry 7338: Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions

description: Small molecule binding data for protein Prostaglandin E2 receptor EP2 subtype (EP2) and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P35408 and P43116
DOI: 10.7270/q2rb739t
title: BindingDB Entry 6731: Factor IXa inhibitors

description: Small molecule binding data for protein Coagulation factor IX and X, Uniprot P00740
DOI: 10.7270/q2rv0mjp
title: BindingDB Entry 8018: Structural basis for the recognition of peptide RJPXD33 by acyltransferases in lipid A biosynthesis.

description: Small molecule binding data for protein UDP-3-O-(acryl)-glucosamine acryltransferase (LpxD) and UDP-N-acetylglucosamine acryltransferase (LpxA), Uniprot P0A722 and P21645
DOI: 10.7270/q2w37v15
title: BindingDB Entry 6730: Pyridonemorphinan analogs and biological activity on opioid receptors

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Opioid growth factor receptor-like protein 1, Uniprot P35372, P41143, P41145, and Q5TC84
DOI: 10.7270/q2wh2nw4
title: BindingDB Entry 8017: Structural basis of pharmacological chaperoning for human β-galactosidase.

description: Small molecule binding data for protein beta-Galactosidase (β-Gal), beta-Galactosidase (β-Gal)(I51T), and beta-Galactosidase (β-Gal)(R201C)
DOI: 10.7270/q2xw4hmr
title: BindingDB Entry 7344: S1P receptors modulators

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 1 (S1P1), and Sphingosine 1-phosphate receptor 3, Uniprot P16050, P21453, and Q99500
DOI: 10.7270/q2086460
title: BindingDB Entry 8024: Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.

description: Small molecule binding data for protein Transcriptional repressor EthR (EthR), Uniprot P9WMC1
DOI: 10.7270/q21n7zxt
title: BindingDB Entry 7351: Biochemical and Cellular Characterization and Inhibitor Discovery of Pseudomonas aeruginosa 15-Lipoxygenase.

description: Small molecule binding data for protein 15-Lipoxygenase (LoxA)
DOI: 10.7270/q23n224g
title: BindingDB Entry 6736: 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives

description: Small molecule binding data for protein Androgen Receptor and Progesterone receptor, Uniprot P06401 and P10275
DOI: 10.7270/q2416vxx
title: BindingDB Entry 8023: Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.

description: Small molecule binding data for protein Aldose reductase (AR), Uniprot P15121
DOI: 10.7270/q25d8qm3
title: BindingDB Entry 7350: Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.

description: Small molecule binding data for protein Enoyl-ACP reductase (Wt ypFabV) and Enoyl-ACP reductase T276S (T276S ypFabV), Uniprot Q8Z9U1
DOI: 10.7270/q26d5rq1
title: BindingDB Entry 6743: Salicylanilide diethyl phosphates as cholinesterases inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q27s7mnb
title: BindingDB Entry 8022: Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors.

description: Small molecule binding data for protein (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH), Uniprot O67625, P62623, and Q9HVM7
DOI: 10.7270/q2930s0z
title: BindingDB Entry 7349: Morpholine compounds and uses thereof

description: Small molecule binding data for protein Trace amine-associated receptor 1 (TAAR1), Uniprot Q923Y8 and Q923Y9
DOI: 10.7270/q2b56hg6
title: BindingDB Entry 6742: Inhibitors of β-secretase

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817