cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2fj2h78
title: BindingDB Entry 50034671: New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 13 (CA XIII), Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q8N1Q1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2hq40g9
title: BindingDB Entry 50035483: Synthesis and pharmacological characterization in vitro of cyclic enkephalin analogues: effect of conformational constraints on opiate receptor selectivity.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P42866, and P97266
DOI: 10.7270/q2ht2ppj
title: BindingDB Entry 50033803: Development ofß-amino alcohol derivatives that inhibit Toll-like receptor 4 mediated inflammatory response as potential antiseptics.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Toll-like receptor 4, and Toll-like receptor 4/MD-2/CD14, Uniprot O00206, P05177, P10635, P11712, P33261, and Q9QUK6
DOI: 10.7270/q2k9380f
title: BindingDB Entry 50034670: Pyrrolovesamicols--synthesis, structure and VAChT binding of two 4-fluorobenzoyl regioisomers.

description: Small molecule binding data for protein Vesicular acetylcholine transporter, Uniprot Q16572 and Q62666
DOI: 10.7270/q2mg7q28
title: BindingDB Entry 50035492: Species- or isozyme-specific enzyme inhibitors. 4. Design of a two-site inhibitor of adenylate kinase with isozyme selectivity.

description: Small molecule binding data for protein Adenylate kinase 2 and Adenylate kinase 3 alpha like 1, Uniprot P29410 and P29411
DOI: 10.7270/q2ng4r0z
title: BindingDB Entry 50033802: Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins.

description: Small molecule binding data for protein Sterol regulatory element-binding protein 2, Uniprot Q12772
DOI: 10.7270/q2ng4r56
title: BindingDB Entry 50035482: Synthesis and biological evaluation of a metazocine-containing enkephalinamide. Evidence for nonidentical roles of the tyramine moiety in opiates and opioid peptides.

description: Small molecule binding data for protein mu/kappa opioid receptor, Uniprot P97266
DOI: 10.7270/q2p26zk0
title: BindingDB Entry 50034677: Novel coumarins and 2-thioxo-coumarins as inhibitors of the tumor-associated carbonic anhydrases IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2q240qr
title: BindingDB Entry 50034669: Identification and optimization of small molecule antagonists of vasoactive intestinal peptide receptor-1 (VIPR1).

description: Small molecule binding data for protein Vasoactive intestinal polypeptide receptor 1, Uniprot P30083
DOI: 10.7270/q2qv3n8b
title: BindingDB Entry 50037347: Inhibition of the strand transfer step of HIV-1 integrase by non-natural dinucleotides.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2r2121s
title: BindingDB Entry 50036440: Structure-activity relationships of (E)-3-(1,4-benzoquinonyl)-2-[(3-pyridyl)-alkyl]-2-propenoic acid derivatives that inhibit both 5-lipoxygenase and thromboxane A2 synthetase.

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q2r78fr4
title: BindingDB Entry 50035491: Renin inhibitors. Substitution of the leucyl residues of Leu-Leu-Val-Phe-OCH3 with 3-amino-2-hydroxy-5-methylhexanoic acid.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2s75gpt
title: BindingDB Entry 50033801: Medicinal chemistry as a conduit for the modulation of quorum sensing.

description: Small molecule binding data for protein Autoinducer 1 sensor kinase/phosphatase luxN, CviR transcriptional regulator, Transcriptional activator protein lasR, Transcriptional activator protein luxR, and Transcriptional activator protein traR, Uniprot P0C5S6, P12746, P25084, and P33905
DOI: 10.7270/q2st7q9d
title: BindingDB Entry 50034676: Proteasome inhibitors for cancer therapy.

description: Small molecule binding data for protein Alpha-chymotrypsin, Uniprot P00766
DOI: 10.7270/q2vt1srd
title: BindingDB Entry 50036439: Synthesis and evaluation of phorboid 20-homovanillates: discovery of a class of ligands binding to the vanilloid (capsaicin) receptor with different degrees of cooperativity.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q2vx0h37
title: BindingDB Entry 50035490: Synthesis and biochemical properties of chemically stable product analogues of the reaction catalyzed by S-adenosyl-L-methionine decarboxylase.

description: Small molecule binding data for protein S-adenosylmethionine decarboxylase 1, Uniprot P17708
DOI: 10.7270/q2xk8g14
title: BindingDB Entry 50034675: N¿?¿-(3-Bromophenyl)-7-(substituted benzyl) pyrrolo[2,3-d]pyrimidines as potent multiple receptor tyrosine kinase inhibitors: design, synthesis, and in vivo evaluation.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00533, P09619, P17948, and P35968
DOI: 10.7270/q21c1xc6
title: BindingDB Entry 50034682: Mutation of active site residues Asn67 to Ile, Gln92 to Val and Leu204 to Ser in human carbonic anhydrase II: influences on the catalytic activity and affinity for inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2319wnk
title: BindingDB Entry 50037352: Synthesis of acyloxymethyl ester prodrugs of the transferable protein farnesyl transferase substrate farnesyl methylenediphosphonate.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356
DOI: 10.7270/q23b60sk
title: BindingDB Entry 50036445: Synthesis, biological activity, and SARs of pyrrolobenzoxazepine derivatives, a new class of specific"peripheral-type" benzodiazepine receptor ligands.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q23f4q6x
title: BindingDB Entry 50035498: 10-Propargylaminopterin and alkyl homologues of methotrexate as inhibitors of folate metabolism.

description: Small molecule binding data for protein Dihydrofolate reductase and Thymidylate Synthase (TS), Uniprot P00375, P00381, and P00469
DOI: 10.7270/q23j3dbn
title: BindingDB Entry 50033814: From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1).

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2542p2g
title: BindingDB Entry 50034681: Discovery of novel prostaglandin analogs as potent and selective EP2/EP4 dual agonists.

description: Small molecule binding data for protein Prostanoid EP1 Receptor, Prostanoid EP2 Receptor, Prostanoid EP2 receptor, Prostanoid EP3 Receptor, Prostanoid EP4 Receptor, and Prostanoid EP4 receptor, Uniprot P30557, P32240, P35375, P43114, Q62053, and Q62928
DOI: 10.7270/q26t0ncj
title: BindingDB Entry 50037351: Synthesis of benzimidazole based analogues of sphingosine-1-phosphate: discovery of potent, subtype-selective S1P4 receptor agonists.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2736rkt
title: BindingDB Entry 50036444: Design, synthesis, and biological evaluation of ellipticine-estradiol conjugates.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2765fws
title: BindingDB Entry 50035497: Species- or isozyme-specific enzyme inhibitors. 7. Selective effects in inhibitions of rat adenylate kinase isozymes by adenosine 5'-phosphate derivatives.

description: Small molecule binding data for protein Adenylate kinase 1, Adenylate kinase 2, and Adenylate kinase 3 alpha like 1, Uniprot P29410, P29411, and P39069
DOI: 10.7270/q279452c
title: BindingDB Entry 50033813: Synthesis and in vitro evaluation of new analogues as inhibitors for phosphodiesterase 10A.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), Phosphodiesterase Type 10 (PDE10A), cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot Q13370, Q14432, Q9QYJ6, and Q9Y233
DOI: 10.7270/q28s4qdm
title: BindingDB Entry 50034680: C-C bond formation at C-2 of a quinoline ring: synthesis of 2-(1H-indol-3-yl)quinoline-3-carbonitrile derivatives as a new class of PDE4 inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2bk1d38
title: BindingDB Entry 50037350: Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) receptors.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2bz66m6
title: BindingDB Entry 50035496: Species- or isozyme-specific enzyme inhibitors. 6. Synthesis and evaluation of two-substrate condensation products as inhibitors of hexokinases and thymidine kinases.

description: Small molecule binding data for protein Hexokinase type II and Thymidine kinase, Uniprot P27158 and P27881
DOI: 10.7270/q2c24wtr
title: BindingDB Entry 50033812: Synthesis and structure-activity relationship of 1- and 2-substituted-1,2,3-triazole letrozole-based analogues as aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2gb24tk
title: BindingDB Entry 50037349: Design and synthesis of 3'-ureidoadenosine-5'-uronamides: effects of the 3'-ureido group on binding to the A3 adenosine receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2gm87zn
title: BindingDB Entry 50036442: 1-aryl-4-[(1-tetralinyl)alkyl]piperazines: alkylamido and alkylamino derivatives. Synthesis, 5-HT1A receptor affinity, and selectivity. 3.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P19327 and P61169
DOI: 10.7270/q2gq6zbj
title: BindingDB Entry 50035493: Species- or isozyme-specific enzyme inhibitors. 5. Differential effects of thymidine substituents on affinity for rat thymidine kinase isozymes.

description: Small molecule binding data for protein Thymidine kinase and Thymidine kinase 2, Uniprot P27158
DOI: 10.7270/q2gt5nkm
title: BindingDB Entry 50033811: Synthesis and biological evaluation of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles as transforming growth factor-ß type 1 receptor kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type I, Uniprot P36897 and Q16539
DOI: 10.7270/q2h995pt
title: BindingDB Entry 50034686: Design, synthesis, and biological evaluation of 4-arylmethyl-1-phenylpyrazole and 4-aryloxy-1-phenylpyrazole derivatives as novel androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2j966t6
title: BindingDB Entry 50034678: Indeno[1,2-b]indole derivatives as a novel class of potent human protein kinase CK2 inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, CDK2/Cyclin A/Cyclin A1, Cyclin-Dependent Kinase 4 (CDK4), Ephrin type-B receptor 4 (EphB4), Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, Mitogen-activated protein kinase kinase kinase 8, NUAK family SNF1-like kinase 1, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK4, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O00444, O14965, O60285, P00533, P04626, P06213, P08069, P08581, P09619, P11802, P12931, P15056, P20248, P24385, P24941, P31749, P35916, P35968, P41279, P53350, P54760, P78396, Q02763, Q05397, Q541P7, and Q96GD4
DOI: 10.7270/q2kd1zj5
title: BindingDB Entry 50036449: N-substituted analogs of 2 beta-carbomethoxy-3 beta- (4'-iodophenyl)tropane (beta-CIT) with selective affinity to dopamine or serotonin transporters in rat forebrain.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2m32wjx
title: BindingDB Entry 50037348: Modeling the binding affinities of beta-secretase inhibitors: application to subsite specificity.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2m909bh
title: BindingDB Entry 50036441: A new highly selective metabotropic excitatory amino acid agonist: 2-amino-4-(3-hydroxy-5-methylisoxazol-4-yl)butyric acid.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 6, and NMDA receptor subunit 2C (GluN2C), Uniprot O15303, Q00961, Q13255, Q14416, and Q14833
DOI: 10.7270/q2mk6d8w
title: BindingDB Entry 50033810: Probing the difference between BH3 groove of Mcl-1 and Bcl-2 protein: Implications for dual inhibitors design.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415 and Q07820
DOI: 10.7270/q2n29xd5
title: BindingDB Entry 50034685: In silico scaffold evaluation and solid phase approach to identify new gelatinase inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P22894, P39900, and P50281
DOI: 10.7270/q2pv6m4z
title: BindingDB Entry 50037355: Development of a polyvalent assay system for lead identification.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2q240xf
title: BindingDB Entry 50036448: 2-Carbomethoxy-3-(diarylmethoxy)-1 alpha H, 5 alpha H-tropane analogs: synthesis and inhibition of binding at the dopamine transporter and comparison with piperazines of the GBR series.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent dopamine transporter, Uniprot P31645 and Q01959
DOI: 10.7270/q2q81dp6
title: BindingDB Entry 50035503: New carboxyalkyl inhibitors of brain enkephalinase: synthesis, biological activity, and analgesic properties.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neprilysin, Uniprot P09470 and Q61391
DOI: 10.7270/q2r78fkw
title: BindingDB Entry 50033809: Application of Ullmann and Ullmann-Finkelstein reactions for the synthesis of N-aryl-N-(1H-pyrazol-3-yl) acetamide or N-(1-aryl-1H-pyrazol-3-yl) acetamide derivatives and pharmacological evaluation.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P30556
DOI: 10.7270/q2rv0p5k
title: BindingDB Entry 50034684: Synthesis and evaluation of fluorobenzoylated di- and tripeptides as inhibitors of cyclooxygenase-2 (COX-2).

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2v12567
title: BindingDB Entry 50033816: Structure-activity relationships of phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors: investigations of various 6,5-heterocycles to improve metabolic stability.

description: Small molecule binding data for protein AKT/p21CIP1, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P31749, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2v125cg
title: BindingDB Entry 50035502: Analogues of aminoglutethimide: selective inhibition of cholesterol side-chain cleavage.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2w09685
title: BindingDB Entry 50033808: Synthesis and biological evaluation of (±)-3-(2-(2-fluorobenzyloxy) naphthalen-6-yl)-2-aminopropanoic acid derivatives as novel PTP1B inhibitors.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, and T-cell protein-tyrosine phosphatase, Uniprot P17706, P18031, P29350, and P30305
DOI: 10.7270/q2wm1dww
title: BindingDB Entry 50034683: Synthesis and P2Y2 receptor agonist activities of uridine 5'-phosphonate analogues.

description: Small molecule binding data for protein Purinergic receptor P2Y2, Uniprot P41231
DOI: 10.7270/q2z89d64
title: BindingDB Entry 50037353: Estrone formate: a novel type of irreversible inhibitor of human steroid sulfatase.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2zk5h99
title: BindingDB Entry 50036446: Design, synthesis, and evaluation of 2 beta-alkenyl penam sulfone acids as inhibitors of beta-lactamases.

description: Small molecule binding data for protein Bacterial penicillin-binding protein, Beta-lactamase, Beta-lactamase (TEM-1), Beta-lactamase AmpC, Beta-lactamase L1, Beta-lactamase OXA-2, Beta-lactamase pse-1, Beta-lactamase type II, Class D β-lactamase (OXA-1), Penicillin-binding protein, and SHV-1 beta-lactamase, Uniprot P00807, P00808, P00811, P02919, P05193, P05364, P0A1V9, P0AD64, P13661, P24735, P25910, P52700, P62593, P94958, and Q83ZU9
DOI: 10.7270/q2zp46p5
title: BindingDB Entry 50035500: Use of (S)-(trifloxymethyl)oxirane in the synthesis of a chiral beta-adrenoceptor antagonist, (R)- and (S)-9-[[3-(tert-butylamino)-2-hydroxypropyl]oximino]fluorene.

description: Small molecule binding data for protein ADRB2, Beta-1 adrenergic receptor, and Beta-2 adrenergic receptor, Uniprot P08588, Q28044, and Q8K4Z4
DOI: 10.7270/q2zs2wwd
title: BindingDB Entry 50033815: Synthesis and evaluation of aliphatic-chain hydroxamates capped with osthole derivatives as histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, P56524, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q20c4w88
title: BindingDB Entry 50034690: Self-association of okadaic acid upon complexation with potassium ion.

description: Small molecule binding data for protein Serine/threonine protein phosphatase PP1-gamma catalytic subunit, Uniprot P36873
DOI: 10.7270/q2222vj6
title: BindingDB Entry 50037361: Novel histone deacetylase inhibitors: cyclic tetrapeptide with trifluoromethyl and pentafluoroethyl ketones.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, P56524, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q22b8znt
title: BindingDB Entry 50036453: Synthesis and transporter binding properties of 3 beta-(4'-alkyl-, 4'-alkenyl-, and 4'-alkynylphenyl)nortropane-2 beta-carboxylic acid methyl esters: serotonin transporter selective analogs.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q22f7p13
title: BindingDB Entry 50035510: Some adenine and adenosine methylene-bridged estrogens.

description: Small molecule binding data for protein Estrogen sulfotransferase, Uniprot P19217
DOI: 10.7270/q22j6c7q
title: BindingDB Entry 50033822: The selective P-TEFb inhibitor CAN508 targets angiogenesis.

description: Small molecule binding data for protein Cyclin-dependent kinase 9, Uniprot P50750
DOI: 10.7270/q2348kv6
title: BindingDB Entry 50034697: Total synthesis of L-2,2-difluoro-2-deoxy-MYO-inositol 1,4,5-trisphosphate, a potent inhibitor of the enzymes of d-MYO-inositol 1,4,5-trisphosphate metabolism

description: Small molecule binding data for protein Inositol 1,4,5-trisphosphate receptor and Type I inositol-1,4,5-trisphosphate 5-phosphatase, Uniprot Q14573, Q14642, and Q14643
DOI: 10.7270/q2445n00
title: BindingDB Entry 50034689: Regulation of circadian behaviour and metabolism by synthetic REV-ERB agonists.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group D member 1 and Nuclear receptor subfamily 1 group D member 2, Uniprot P20393 and Q14995
DOI: 10.7270/q25t3m75
title: BindingDB Entry 50037360: Substrate analogs for the investigation of deoxyxylulose 5-phosphate reductoisomerase inhibition: synthesis and evaluation.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase and 1-deoxyxylulose-5-phosphate reductoisomerase, Uniprot P45568 and Q55663
DOI: 10.7270/q2639qcj
title: BindingDB Entry 50036452: Dioxabicyclooctanyl naphthalenenitriles as nonredox 5-lipoxygenase inhibitors: structure-activity relationship study directed toward the improvement of metabolic stability.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2668drd
title: BindingDB Entry 50035509: alpha-Adrenergic activities of some substituted 2-(aminomethyl)imidazolines.

description: Small molecule binding data for protein adrenergic Alpha2, Uniprot Q28838
DOI: 10.7270/q26973xk
title: BindingDB Entry 50033821: 3-Acetyl-2,5-diaryl-2,3-dihydro-1,3,4-oxadiazoles: a new scaffold for the selective inhibition of monoamine oxidase B.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, Uniprot P27338
DOI: 10.7270/q27m08h1
title: BindingDB Entry 50035187: Design, synthesis and preliminary evaluation of novel 3'-substituted carboxycyclopropylglycines as antagonists at group 2 metabotropic glutamate receptors.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2) and Metabotropic glutamate receptor 3 (mGlu3), Uniprot P31422 and Q14416