cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q25x27hv
title: BindingDB Entry 5667: Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Collagenase, Matrix Metalloproteinase-10 (MMP-10), Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), Stromelysin-1, and TNF-alpha-Converting Enzyme, Uniprot P03956, P08253, P08254, P09237, P09238, P12821, P14780, P22894, P39900, P45452, and P50281
DOI: 10.7270/q28g8jch
title: BindingDB Entry 6309: A unique inhibitor binding site in ER K1/2 is associated with slow binding kinetics

description: Small molecule binding data for protein Casein kinase II, Dual specificity mitogen-activated protein kinase kinase 3, Dual specificity protein kinase CLK2, Dual specificity protein kinase TTK, Dual specificty protein kinase CLK1, Haspin (465-798), MAP kinase ERK2, Misshapen-like kinase 1 (MINK), Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase kinase 4, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase Aurora-C, Serine/threonine-protein kinase D1, and c-Jun N-terminal kinase 1 truncation (JNK1) (1-363), Uniprot O95819, P19784, P27361, P28482, P33981, P45984, P46734, P49759, P49760, P53779, Q15139, Q6FI23, Q8N4C8, Q9UEE5, and Q9UQB9
DOI: 10.7270/q28p5z3t
title: BindingDB Entry 5674: Synthesis and Biological Evaluation of 3-thiazolocoumarinyl Schiff-base Derivatives as Cholinesterase Inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2d79937
title: BindingDB Entry 6308: Compounds effective as xanthine oxidase inhibitors, method for preparing the same, and pharmaceutical composition containing the same

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2df6pt4
title: BindingDB Entry 5673: Probing the active site of the deoxynucleotide N-hydrolase Rcl encoded by the rat gene c6orf108.

description: Small molecule binding data for protein Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl), Uniprot O35820
DOI: 10.7270/q2j101vj
title: BindingDB Entry 6307: Benzodioxole piperazine compounds

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P28223, and P35462
DOI: 10.7270/q2j67fjv
title: BindingDB Entry 5672: Reduced expression of CD45 protein-tyrosine phosphatase provides protection against anthrax pathogenesis.

description: Small molecule binding data for protein Tyrosine-Protein Phosphatase (CD45), Uniprot P08575
DOI: 10.7270/q2ns0sj4
title: BindingDB Entry 6306: Mineralocorticoid receptor antagonists

description: Small molecule binding data for protein Mineralocorticoid receptor (MR), Uniprot P08235
DOI: 10.7270/q2nz867t
title: BindingDB Entry 5671: Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 13 (MAPK13), and c-Jun N-terminal kinase, JNK, Uniprot O15264, P45983, and P53779
DOI: 10.7270/q2rj4h4g
title: BindingDB Entry 6313: Inhibitors of PI3 kinase

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q2sf2tv4
title: BindingDB Entry 6305: Inhibitors of C-FMS kinase

description: Small molecule binding data for protein Macrophage colony-stimulating factor 1 receptor (c-Fms), Uniprot P09581
DOI: 10.7270/q2sn07kt
title: BindingDB Entry 5670: Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic compounds.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO) and 3C-like proteinase (CVB3 3Cpro), Uniprot P03313 and P0C6X7
DOI: 10.7270/q2w66jgx
title: BindingDB Entry 6312: Inhibitors of bruton's tyrosine kinase

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2x63kkv
title: BindingDB Entry 6304: 7-deazapurine modulators of histone methyltransferase, and methods of use thereof

description: Small molecule binding data for protein Histone H3-K79 methyltransferase (DOT1L), Uniprot Q8TEK3
DOI: 10.7270/q2xd1083
title: BindingDB Entry 5669: Identification and characterization of novel classes of macrophage migration inhibitory factor (MIF) inhibitors with distinct mechanisms of action.

description: Small molecule binding data for protein Macrophage migration inhibitory factor (MIF), Uniprot P14174
DOI: 10.7270/q20000sx
title: BindingDB Entry 6319: 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P20309
DOI: 10.7270/q20863wj
title: BindingDB Entry 5684: Potent and selective disruption of protein kinase D functionality by a benzoxoloazepinolone.

description: Small molecule binding data for protein AKT/p21CIP1, CDK7/Cyclin H/MNAT1, Serine/threonine-protein kinase D1, Serine/threonine-protein kinase D2 (PKD2), Serine/threonine-protein kinase D3, and Serine/threonine-protein kinase PLK1, Uniprot O94806, P31749, P50613, P53350, Q15139, and Q9BZL6
DOI: 10.7270/q2154fn2
title: BindingDB Entry 5676: A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q23r0rjd
title: BindingDB Entry 6318: Compounds as hypoxia mimetics, and compositions and uses thereof

description: Small molecule binding data for protein Hypoxia-inducible factor (HIF-PH2), Uniprot P59722
DOI: 10.7270/q23x858j
title: BindingDB Entry 5683: Small neutralizing molecules to inhibit actions of the chemokine CXCL12.

description: Small molecule binding data for protein Chemokine CXCL12, Uniprot P48061
DOI: 10.7270/q26h4g39
title: BindingDB Entry 6325: Spiroxazolidinone compounds

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P35346
DOI: 10.7270/q27h1h7p
title: BindingDB Entry 6317: Protease inhibitors

description: Small molecule binding data for protein HIV-1 protease, Uniprot Q9YQ30
DOI: 10.7270/q27p8x0w
title: BindingDB Entry 5682: Biosynthesis and recycling of nicotinamide cofactors in mycobacterium tuberculosis. An essential role for NAD in nonreplicating bacilli.

description: Small molecule binding data for protein NAD synthetase, Uniprot Q6IA69
DOI: 10.7270/q2c827z0
title: BindingDB Entry 6316: Aminopyrazoloquinazolines

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2cf9nq6
title: BindingDB Entry 5681: Characterization of the interaction of phorbol esters with the C1 domain of MRCK (myotonic dystrophy kinase-related Cdc42 binding kinase) alpha/beta.

description: Small molecule binding data for protein Protein kinase C alpha type, Protein kinase C delta type, Serine/threonine-protein kinase MRCK alpha, and Serine/threonine-protein kinase MRCK beta, Uniprot P17252, Q05655, Q5VT25, and Q9Y5S2
DOI: 10.7270/q2h130pq
title: BindingDB Entry 6315: Aminopyridines useful as inhibitors of protein kinases

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840 and P49841
DOI: 10.7270/q2h70dfg
title: BindingDB Entry 5680: Chemical validation of trypanothione synthetase: a potential drug target for human trypanosomiasis.

description: Small molecule binding data for protein Trypanothione synthetase (TryS), Uniprot Q9GT49
DOI: 10.7270/q2ks6q7x
title: BindingDB Entry 6322: Pyrazolopyrimidines Establish MurC as a Vulnerable Target in Pseudomonas aeruginosa and Escherichia coli.

description: Small molecule binding data for protein MurC and MurC (P. aeruginosa), Uniprot P17952 and Q9HW02
DOI: 10.7270/q2ms3rf6
title: BindingDB Entry 6314: Pyrrolidine derivatives

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P07858, P25774, and P43235
DOI: 10.7270/q2n01556
title: BindingDB Entry 5679: Chemical interrogation of FOXO3a nuclear translocation identifies potent and selective inhibitors of phosphoinositide 3-kinases.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2qj7g03
title: BindingDB Entry 6321: Protease inhibitors

description: Small molecule binding data for protein Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P25774, and P43235
DOI: 10.7270/q2rr1wvc
title: BindingDB Entry 5678: Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.

description: Small molecule binding data for protein Cytochrome P450 130, Cytochrome P450 130 (G243A), and Cytochrome P450 142 (CYP142), Uniprot P9WPL4, P9WPN4, and P9WPN5
DOI: 10.7270/q2v986qd
title: BindingDB Entry 6320: Co-crystals and salts of CCR3-inhibitors

description: Small molecule binding data for protein C-C chemokine receptor type 3, Uniprot P51677
DOI: 10.7270/q2vh5mfq
title: BindingDB Entry 5685: Identification and characterization of small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH) and Dihydroorotate dehydrogenase, Uniprot A5K1N1, Q02127, and Q4YTU1
DOI: 10.7270/q2wh2nk3
title: BindingDB Entry 5677: Discovery and exploitation of inhibitor-resistant aurora and polo kinase mutants for the analysis of mitotic networks.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-C, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase ABL1(E255K), Uniprot O14965, P00519, P06493, P24941, P53350, Q96GD4, and Q9UQB9
DOI: 10.7270/q22v2dsw
title: BindingDB Entry 6326: Disubstituted heteroaryl-fused pyridines

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2319tgh
title: BindingDB Entry 5691: Thiazolidine-diones. Biochemical and biological activity of a novel class of tyrosine protein kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Protein kinase C alpha type, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase CSK, and cAMP-dependent protein kinase (PKA), Uniprot P00519, P00533, P17252, P17612, and P41240
DOI: 10.7270/q26q1vvn
title: BindingDB Entry 5690: Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function.

description: Small molecule binding data for protein NS3 Protein, Uniprot Q4JMH3 A3EZI9
DOI: 10.7270/q2b856s5
title: BindingDB Entry 6324: Furanone derivative

description: Small molecule binding data for protein CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase), Uniprot O00311
DOI: 10.7270/q2bg2mkc
title: BindingDB Entry 5689: Identification of Type-II Inhibitors Using Kinase Structures.

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q2f18xdk
title: BindingDB Entry 6331: Pyrazolo pyrimidine derivatives

description: Small molecule binding data for protein G-protein coupled receptor 4 (GPR4), Uniprot P46093
DOI: 10.7270/q2g15zhh
title: BindingDB Entry 6323: Ebselen Inhibits Hepatitis C Virus NS3 Helicase Binding to Nucleic Acid and Prevents Viral Replication

description: Small molecule binding data for protein NS3
DOI: 10.7270/q2g73c93
title: BindingDB Entry 5688: Synthesis, in vitro Biological Evaluation and Molecular Docking Studies of Benzimidamides as Potential BACE1 Inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2js9p40
title: BindingDB Entry 6330: Oxazole and thiazole compounds as KSP inhibitors

description: Small molecule binding data for protein kinesin spindle protein, Uniprot P52732
DOI: 10.7270/q2m0441t
title: BindingDB Entry 5687: Human Plasma Lecithin-Cholesterol Acyltransferase

description: Small molecule binding data for protein Lecithin-cholesterol acyltransferase (LCAT), Uniprot P04180
DOI: 10.7270/q2pk0dvv
title: BindingDB Entry 6329: Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Uniprot P21453
DOI: 10.7270/q2qr4vrf
title: BindingDB Entry 5686: Inhibition of forskolin-induced neurite outgrowth and protein phosphorylation by a newly synthesized selective inhibitor of cyclic AMP-dependent protein kinase, N-[2-(p-bromocinnamylamino)ethyl]-5-isoquinolinesulfonamide (H-89), of PC12D pheochromocytoma cells.

description: Small molecule binding data for protein CAMK2B, Casein Kinase II, Casein kinase I isoform alpha (CK1 Alpha), Myosin light chain kinase, Protein kinase C alpha type, cAMP-dependent protein kinase (PKA), and cGMP-dependent protein kinase, Uniprot P17252, P17612, P48729, P68400, Q13554, Q13976, and Q32MK0
DOI: 10.7270/q2tb15m1
title: BindingDB Entry 6328: Anti-infective agents against intracellular pathogens

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2th8k9b
title: BindingDB Entry 5693: Selected C7-substituted chromone derivatives as monoamine oxidase inhibitors.

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/q2z31xbc
title: BindingDB Entry 6327: Macrocyclic inhibitors of hepatitis C virus

description: Small molecule binding data for protein NS3-4A protease, Uniprot K7XGM7
DOI: 10.7270/q20v8bgp
title: BindingDB Entry 6342: Synthesis, molecular docking, and biological evaluation of some novel hydrazones and pyrazole derivatives as anti-inflammatory agents.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q21v5cnh
title: BindingDB Entry 6334: Alkyl-substituted pyrazolopyrimidines

description: Small molecule binding data for protein Phosphodiesterase 1C (PDE1C), Phosphodiesterase 7B (PDE7B), Phosphodiesterase 8, Phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase B, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, Q07343, Q13370, Q14123, Q9NP56, and Q9Y233
DOI: 10.7270/q2222sdk
title: BindingDB Entry 5699: Mutations M184V and Y115F in HIV-1 reverse transcriptase discriminate against "nucleotide-competing reverse transcriptase inhibitors".

description: Small molecule binding data for protein Reverse Transcriptase, Uniprot Q9WJQ2
DOI: 10.7270/q25m64c7
title: BindingDB Entry 6333: Inhibitors of inv(16) leukemia

description: Small molecule binding data for protein Core-binding factor subunit beta (CBFB), Uniprot Q13951
DOI: 10.7270/q25t3j3j
title: BindingDB Entry 5698: The structural basis for the interaction between L-tryptophan and the Escherichia coli trp aporepressor.

description: Small molecule binding data for protein Trp Aprorepressor, Uniprot P0A881
DOI: 10.7270/q28c9txb
title: BindingDB Entry 6340: Arylazopyrazole AAP1742 inhibits CDKs and induces apoptosis in multiple myeloma cells via Mcl-1 downregulation.

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, and Cyclin-dependent kinase 9, Uniprot P06493, P11802, P24941, P50613, and P50750
DOI: 10.7270/q29885qp
title: BindingDB Entry 6332: Picolinamido-propanoic acid derivatives useful as glucagon receptor antagonists

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q29g5kdj
title: BindingDB Entry 5697: Identification of two serine residues involved in agonist activation of the beta-adrenergic receptor.

description: Small molecule binding data for protein G-protein coupled receptor kinase 2, Uniprot P25098
DOI: 10.7270/q2d21w96
title: BindingDB Entry 6339: Identification of dipeptidyl peptidase IV inhibitors: virtual screening, synthesis and biological evaluation.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2f76b48
title: BindingDB Entry 5696: Inhibition studies on the membrane-associated phospholipase A2 in vitro and prostaglandin E2 production in vivo of the macrophage-like P388D1 cell. Effects of manoalide, 7,7-dimethyl-5,8-eicosadienoic acid, and p-bromophenacyl bromide.

description: Small molecule binding data for protein Phospholipase A2, Uniprot P04054
DOI: 10.7270/q2ht2n05
title: BindingDB Entry 6338: 1,3-disubstituted-4-aminopyrazolo [3, 4-d] pyrimidines, a new class of potent inhibitors for phospholipase D.

description: Small molecule binding data for protein Phospholipase D (PLD), Phospholipase D (PLD_sp), and Phospholipase D2 (PLD2), Uniprot O14939, P84147, and Q13393
DOI: 10.7270/q2k072vk
title: BindingDB Entry 5695: A newly synthesized selective casein kinase I inhibitor, N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide, and affinity purification of casein kinase I from bovine testis.

description: Small molecule binding data for protein Calcium/calmodulin-dependent protein kinase II, Casein Kinase II, Casein kinase I isoform alpha (CK1 Alpha), Protein kinase C alpha type, and cAMP-dependent protein kinase type I-alpha regulatory subunit, Uniprot A5D7T0, P00514, P17252, P48729, and P68400
DOI: 10.7270/q2nk3cqg
title: BindingDB Entry 6337: Discovery of novel secretory phospholipase A2 inhibitors using virtual screen.

description: Small molecule binding data for protein Phospholipase A2, membrane associated, Uniprot P14555
DOI: 10.7270/q2ns0sg7
title: BindingDB Entry 5702: Boron-based inhibitors of acyl protein thioesterases 1 and 2.

description: Small molecule binding data for protein Acyl-protein thioesterase 1 and Acyl-protein thioesterase 2, Uniprot O75608 and O95372
DOI: 10.7270/q2pr7tkm
title: BindingDB Entry 5694: Type II Ligands as Chemical Auxiliaries To Favor Enzymatic Transformations by P450 2E1.

description: Small molecule binding data for protein Cytochrome P450 2E1, Uniprot P05181
DOI: 10.7270/q2sb44f6
title: BindingDB Entry 6336: A facile one-pot synthesis of 2-arylamino-5-aryloxylalkyl-1,3,4-oxadiazoles and their urease inhibition studies.

description: Small molecule binding data for protein Urease
DOI: 10.7270/q2x34w5j
title: BindingDB Entry 6335: Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors

description: Small molecule binding data for protein S-nitrosoglutathione reductase (GSNOR), Uniprot P11766
DOI: 10.7270/q2x928x8
title: BindingDB Entry 5700: Photoaffinity labeling of the Ah receptor.

description: Small molecule binding data for protein Ah Receptor, Uniprot P30561
DOI: 10.7270/q2z89b12
title: BindingDB Entry 5692: Conformational Adaptation Drives Potent, Selective and Durable Inhibition of the Human Protein Methyltransferase DOT1L.

description: Small molecule binding data for protein Histone H3-K79 methyltransferase (DOT1L), Uniprot Q8TEK3
DOI: 10.7270/q2125r86
title: BindingDB Entry 5707: Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.

description: Small molecule binding data for protein Casein Kinase II and Serine/threonine-protein kinase PIM, Uniprot P11309 and P68400
DOI: 10.7270/q23n2231
title: BindingDB Entry 6349: Pyrazolylbenzothiazole derivatives and their use as therapeutic agents

description: Small molecule binding data for protein Serine/threonine-protein kinase ILK-1, Uniprot Q13418
DOI: 10.7270/q24m937v
title: BindingDB Entry 6341: Synthesis and biologic evaluation of substituted 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one derivatives as selective COX-2 inhibitors: molecular docking study.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q24t6h0m
title: BindingDB Entry 5706: Pentachlorophenol hydroxylase, a poorly functioning enzyme required for degradation of pentachlorophenol by Sphingobium chlorophenolicum.

description: Small molecule binding data for protein Pentachlorophenol hydroxylase, Uniprot P42535
DOI: 10.7270/q27d2svd
title: BindingDB Entry 6348: Oxadiazole derivative having endothelial lipase inhibitory activity

description: Small molecule binding data for protein Endothelial lipase (EL), Uniprot Q9Y5X9
DOI: 10.7270/q28k77pg
title: BindingDB Entry 5705: Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.

description: Small molecule binding data for protein Salicylate synthase (MbtI), Uniprot P9WFX0
DOI: 10.7270/q2c53jjp
title: BindingDB Entry 6347: 1,4-oxazepines as BACE1 and/or BACE2 inhibitors

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2cc0z80
title: BindingDB Entry 5712: Screening of selective inhibitors of 1α,25-dihydroxyvitamin D3 24-hydroxylase using recombinant human enzyme expressed in Escherichia coli.

description: Small molecule binding data for protein Cytochrome P450 24A1 and Cytochrome P450 27B1, Uniprot O15528 and Q07973
DOI: 10.7270/q2d7991b
title: BindingDB Entry 5704: Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitors.

description: Small molecule binding data for protein Apurinic-apyrimidinic endonuclease 1 (APE-1), Uniprot P27695
DOI: 10.7270/q2gt5kvc
title: BindingDB Entry 6346: 4-phenylpiperazine derivatives with functionalized linkers as dopamine D3 receptor selective ligands and methods of use

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2h130mt
title: BindingDB Entry 5711: Indolequinone inhibitors of NRH:quinone oxidoreductase 2. Characterization of the mechanism of inhibition in both cell-free and cellular systems.

description: Small molecule binding data for protein Ribosyldihydronicotinamide dehydrogenase [quinone], Uniprot P16083
DOI: 10.7270/q2j101r6
title: BindingDB Entry 5703: Probing the peripheral site of human butyrylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2mk6bjn
title: BindingDB Entry 6345: Reversible Covalent Inhibition of eEF-2K by Carbonitriles.

description: Small molecule binding data for protein Serine/threonine-protein kinase EEF2K, Uniprot O00418
DOI: 10.7270/q2rb738c
title: BindingDB Entry 6344: Synthesis and evaluation of novel marine bromopyrrole alkaloid-based derivatives as potential antidepressant agents.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338