cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/mhutzkfxgazxec-uhfffaoysa-n.1
title: 4-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile
title: InChI=1S/C15H10N2S/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,1H3

description: This dataset contains experimental data from a sample (4-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile, InChI=1S/C15H10N2S/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) mass spectrometry (MS)
DOI: 10.14272/mhutzkfxgazxec-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C15H10N2S/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 120 °C): 250 (100), 231 (10), 181 (43), 131 (49), 121 (23), 100 (12), 69 (74).
DOI: 10.14272/mhutzkfxgazxec-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C15H10N2S/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.16–8.21 (m, 2H), 7.99 (d, J = 8.4 Hz, 1H), 7.76–7.80 (m, 2H), 7.73 (s, 1H), 7.36 (dd, J = 8.4 Hz, J = 1.2 Hz, 1H), 2.53 (s, 3H).
DOI: 10.14272/mhutzkfxgazxec-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C15H10N2S/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 164.2, 152.1, 137.6, 136.5, 135.5, 132.7 (2C), 128.5, 127.8 (2C), 123.3, 121.5, 118.3, 113.9, 21.6.
DOI: 10.21223/p3/2sd9wm/pdtrmn
title: SWEETPOv2_Documentation.pdf

description: :unav
DOI: 10.21223/p3/2sd9wm/tiiu88
title: SWEETPOv2_Setup.rar

description: :unav
DOI: 10.21223/p3/2sd9wm/wde6tn
title: sweetpo.rar

description: :unav
DOI: 10.7270/q2319z1b
title: BindingDB Entry 50048447: Fused aminotetralins: novel antagonists with high selectivity for the dopamine D3 receptor.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q26t0pts
title: BindingDB Entry 50048446: Quaternary substituted PDE4 inhibitors I: the synthesis and in vitro evaluation of a novel series of oxindoles.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2bk1fjh
title: BindingDB Entry 50048445: Thalidomide analogs and PDE4 inhibition.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2gb267s
title: BindingDB Entry 50048444: 2-Substituted-4-methoxybenzimidazole-based PDE4 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2qv3pp4
title: BindingDB Entry 50048442: Synthesis and binding of stable bisubstrate ligands for phosphoglycerate kinase.

description: Small molecule binding data for protein Phosphoglycerate kinase and Phosphoglycerate kinase 1
DOI: 10.7270/q2tm7d9x
title: BindingDB Entry 50048449: Preparation of biotinylated allosamidins with strong chitinase inhibitory activities.

description: Small molecule binding data for protein Chitinase, Uniprot Q13231
DOI: 10.7270/q2vh5r10
title: BindingDB Entry 50048441: Asymmetric synthesis of antimitotic combretadioxolane with potent antitumor activity against multi-drug resistant cells.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2z89fkg
title: BindingDB Entry 50048448: PDE4 inhibitors: new xanthine analogues.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.17632/ybt96z496k.2
title: Data for "Hydro-mechanical behaviour of high-density bentonite pellet on partial hydration"

description: Compression test results: pellet modulus, pellet strength and maximal displacement for axial and radial directions (Fig. 8 and Fig 9. in article).
DOI: 10.7270/q2222wz0
title: BindingDB Entry 50048455: Quaternary substituted PDE IV inhibitors II: the synthesis and in vitro evaluation of a novel series of gamma-lactams.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q25t3nnz
title: BindingDB Entry 50048454: Potent inhibitors of the MAP kinase p38.

description: Small molecule binding data for protein MAP kinase p38, Uniprot O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q29k4dd4
title: BindingDB Entry 50048453: Syntheses and antitumor activity of cis-restricted combretastatins: 5-membered heterocyclic analogues.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2fb554v
title: BindingDB Entry 50048452: Pyrimidinylimidazole inhibitors of CSBP/p38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes.

description: Small molecule binding data for protein MAP kinase p38, Uniprot O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2k35wvs
title: BindingDB Entry 50048451: Synthesis of benzanilide derivatives as dual acting agents with alpha 1-adrenoceptor antagonistic action and steroid 5-alpha reductase inhibitory activity.

description: Small molecule binding data for protein Steroid 5-alpha-reductase, Uniprot P24008 and P31214
DOI: 10.7270/q2nv9mft
title: BindingDB Entry 50048458: Solid phase organic synthesis of polyamine derivatives and initial biological evaluation of their antitumoral activity.

description: Small molecule binding data for protein Phosphodiesterase 1, Uniprot P14100 and Q01061
DOI: 10.7270/q2pv6nk6
title: BindingDB Entry 50048450: Orally active indole N-oxide PDE4 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.14469/hpc/6469
title: 2,2-Dimethyl-3-((3E)-3-methyl-5-(prop-1-en-1-yloxy)pent-3-en-1-yl)oxirane (10a)

description: (10a)
DOI: 10.7270/q2154k6w
title: BindingDB Entry 50048463: Isolation and structure of SCH 351633: a novel hepatitis C virus (HCV) NS3 protease inhibitor from the fungus Penicillium griseofulvum.

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A, Uniprot Q4JMH3 A3EZI9
DOI: 10.7270/q24t6mkg
title: BindingDB Entry 50048462: From histamine to imidazolylalkyl-sulfonamides: the design of a novel series of histamine H3-receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9JI35
DOI: 10.7270/q28k7c8r
title: BindingDB Entry 50048461: Synthesis and preliminary biological evaluation of new alpha-amino amide anticonvulsants incorporating a dextromethorphan moiety.

description: Small molecule binding data for protein Sodium channel protein type I I alpha subunit, Uniprot P04774, P04775, and P08104
DOI: 10.7270/q2db841x
title: BindingDB Entry 50048460: Dual-acting agents with alpha1-adrenoceptor antagonistic and steroid 5alpha-reductase inhibitory activities. Synthesis and evaluation of arylpiperazine derivatives.

description: Small molecule binding data for protein Steroid 5-alpha-reductase, Uniprot P24008 and P31214
DOI: 10.7270/q2j38vrv
title: BindingDB Entry 50048459: A 2-methyleneoxetane analog of orlistat demonstrating inhibition of porcine pancreatic lipase.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P16233
DOI: 10.7270/q2rn3b1q
title: BindingDB Entry 50048465: Triterpene and diterpene inhibitors of pyruvate dehydrogenase kinase (PDK).

description: Small molecule binding data for protein Pyruvate dehydrogenase kinase, Uniprot Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q2sn0c53
title: BindingDB Entry 50048457: Novel bisphosphonate inhibitors of phosphoglycerate kinase.

description: Small molecule binding data for protein Phosphoglycerate kinase 1
DOI: 10.7270/q2wd42r1
title: BindingDB Entry 50048464: Novel benzopyrano[3,4-c]pyrrole derivatives as potent and selective dopamine D3 receptor antagonist.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2xd13vz
title: BindingDB Entry 50048456: Phosphodiesterase inhibitory properties of losartan. Design and synthesis of new lead compounds.

description: Small molecule binding data for protein Phosphodiesterase 3 and Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, Q08499, Q13370, and Q14432
DOI: 10.17632/rzstnw9ytw.1
title: twoWayGPBEFoam: An open-source Eulerian QBMM solver for monokinetic bubbly flows

description: twoWayGPBEFoam is an open-source mesoscopic Eulerian QBMM solver for monokinetic bubbly flows. The solver is implemented within the OpenFOAM software framework. Unlike the existing macroscopic two-fluid model (TFM) solver twoPhaseEulerFoam, it can predict the size segregation phenomenon and the size-conditional velocities of the disperse phase, although it will not be able to predict the particle trajectory crossing (PTC). On theoretical grounds, the evolution of the disperse phase in multiphase flows is dictated by the generalized population balance equation (GPBE), which can be transformed into moment transport equations and solved using the finite-volume method with higher-order realizable spatial-discretization schemes and time-integration schemes. In order to address the closure problem of the size-conditional spatial flux, the size-conditional velocities need to be modeled. In many previous works, these are assumed to be identical with the disperse phase velocity predicted by the TFM. In this work, the size-conditional velocities were modeled using the velocity polynomial approximation (VPA), for which the velocity polynomial coefficients (VPCs) can be obtained from the moments themselves. By carrying out several test cases with both one-way and two-way coupling, we show that the results predicted by our solver agree well with the analytical solutions and the existing experimental data.
DOI: 10.5281/zenodo.3574978
title: Prevalence data complementing the European Union One Health 2018 Zoonoses Report

description: This dataset contains monitoring data on zoonoses and zoonotic agents under the Directive 2003/99/EC. This Directive requires Member Sates (MSs) to collect, evaluate and report data on zoonoses and zoonotic agents. MSs can also report monitoring data and information on some other pathogenic microbiological agentsin foodstuffs. Relevant EU legislation is:Commission Regulation (EC) No 2073/2005,Commission Regulation (EC) No 1441/2007, Commission Regulation (EU) No 1086/2011, Commission Regulation (EU) No 209/2013, Commission Regulation(EU) No 217/2014.
description: EU; csv; zoonoses_support@efsa.europa.eu
DOI: 10.5281/zenodo.3574979
title: Prevalence data complementing the European Union One Health 2018 Zoonoses Report

description: This dataset contains monitoring data on zoonoses and zoonotic agents under the Directive 2003/99/EC. This Directive requires Member Sates (MSs) to collect, evaluate and report data on zoonoses and zoonotic agents. MSs can also report monitoring data and information on some other pathogenic microbiological agentsin foodstuffs. Relevant EU legislation is:Commission Regulation (EC) No 2073/2005,Commission Regulation (EC) No 1441/2007, Commission Regulation (EU) No 1086/2011, Commission Regulation (EU) No 209/2013, Commission Regulation(EU) No 217/2014.
description: EU; csv; zoonoses_support@efsa.europa.eu
DOI: 10.5519/qd.ss2vquto
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.7270/q2057j4d
title: BindingDB Entry 50048471: Novel 1,2,3,4-tetrahydroisoquinolines with high affinity and selectivity for the dopamine D3 receptor.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q23x88tz
title: BindingDB Entry 50048470: Heterocyclic analogues of 2-aminotetralins with high affinity and selectivity for the dopamine D3 receptor.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q27m0b4x
title: BindingDB Entry 50048469: Preparation and receptor binding affinities of cyclic C-terminal neurotensin (8-13) and (9-13) analogues.

description: Small molecule binding data for protein Neurotensin receptor, Uniprot O95665 and P30989
DOI: 10.7270/q2cc12v7
title: BindingDB Entry 50048468: Synthesis and estrogen receptor binding affinity of a porphyrin-estradiol conjugate for targeted photodynamic therapy of cancer.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372 and Q92731
DOI: 10.7270/q2h41tkk
title: BindingDB Entry 50048467: 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one derivatives as orphanin FQ receptor agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, and P41146
DOI: 10.7270/q2mw2k90
title: BindingDB Entry 50048466: Novel protein kinase C inhibitors: synthesis and PKC inhibition of beta-substituted polythiophene derivatives.

description: Small molecule binding data for protein Protein kinase C (PKC)
DOI: 10.7270/q2qn68zt
title: BindingDB Entry 50048473: 4-Chlorobenzyl sulfonamide and sulfamide derivatives of histamine homologues: the design of potent histamine H3 receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9JI35
DOI: 10.7270/q2vd71n3
title: BindingDB Entry 50048472: Identification of (-)-cis-6-acetyl-4S-(3-chloro-4-fluoro-benzoylamino)- 3,4-dihydro-2,2-dimethyl-2H-benzo[b]pyran-3S-ol as a potential antimigraine agent.

description: Small molecule binding data for protein Serotonin 1B/1D receptor, Uniprot P28565
DOI: 10.7270/q22z17r1
title: BindingDB Entry 50048478: Novel nonsteroidal selective estrogen receptor modulators. Carbon and heteroatom replacement of oxygen in the ethoxypiperidine region of raloxifene.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372 and Q92731
DOI: 10.7270/q26q20f9
title: BindingDB Entry 50048477: Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha2-adrenoceptor: the development of new, highly selective inhibitors of PNMT.

description: Small molecule binding data for protein Adrenergic receptor alpha-2 and Phenylethanolamine N-methyltransferase, Uniprot P10938, P19328, P22086, and P22909
DOI: 10.7270/q2bg2r5n
title: BindingDB Entry 50048476: The synthesis and evaluation of temperature sensitive tubulin toxins.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2g44sgn
title: BindingDB Entry 50048475: Tokaramide A, a new cathepsin B inhibitor from the marine sponge Theonella aff. mirabilis.

description: Small molecule binding data for protein Cathepsin (B and K), Uniprot P07858
DOI: 10.7270/q2jw8h34
title: BindingDB Entry 50048482: Synthesis of caged peptides using caged lysine: application to the synthesis of caged AIP, a highly specific inhibitor of calmodulin-dependent protein kinase II.

description: Small molecule binding data for protein CaM kinase II, Uniprot A0A024RDK3, Q13554, Q13555, Q13557, and Q9UQM7
DOI: 10.7270/q2kw5j62
title: BindingDB Entry 50048474: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties.

description: Small molecule binding data for protein PBP2
DOI: 10.7270/q2tf00jq
title: BindingDB Entry 50048480: Synthesis and activity of 2-(sulfonamido)methyl-carbapenems: discovery of a novel, anti-MRSA 1,8-naphthosultam pharmacophore.

description: Small molecule binding data for protein MecA PBP2' (penicillin binding protein 2')
DOI: 10.7270/q2z60r82
title: BindingDB Entry 50048479: Solid-phase synthesis of benzisothiazolones as serine protease inhibitors.

description: Small molecule binding data for protein Tryptase, Uniprot Q15661,P20231, Q9BZJ3, and Q9NRR2
DOI: 10.5519/qd.wb72h7tk
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.7270/q21z46mn
title: BindingDB Entry 50048486: Synthesis of fluorescent probes directed to the active site gorge of acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q25q4z9j
title: BindingDB Entry 50048485: Synthesis and structure-activity relationships of 4-oxo-1-phenyl-3,4,6,7-tetrahydro-[1,4]diazepino[6,7,1-hi]indoles: novel PDE4 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3, Phosphodiesterase 4, Phosphodiesterase, PDE1/PDE5, and cAMP-specific 3',5'-cyclic phosphodiesterase 4C, Uniprot O76074, P27815, P54750, Q01064, Q07343, Q08493, Q08499, Q13370, Q14123, and Q14432
DOI: 10.7270/q29g5q0t
title: BindingDB Entry 50048484: Synthesis and evaluation of geldanamycin-estradiol hybrids.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot P07900 and P08238
DOI: 10.7270/q2f76fq4
title: BindingDB Entry 50048483: Synthesis and biological activity of trans-2,3-dihydroraloxifene.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372 and Q92731
DOI: 10.7270/q2j105bg
title: BindingDB Entry 50048490: The synthesis and biological evaluation of a novel series of phthalazine PDE4 inhibitors I.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2np26mq
title: BindingDB Entry 50048489: 7-Methoxybenzofuran-4-carboxamides as PDE 4 inhibitors: a potential treatment for asthma.

description: Small molecule binding data for protein Phosphodiesterase 4 and cAMP-specific 3',5'-cyclic phosphodiesterase 4C, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2pn97tf
title: BindingDB Entry 50048481: Combined NK1 and NK2 tachykinin receptor antagonists: synthesis and structure-activity relationships of novel oxazolidine analogues.

description: Small molecule binding data for protein Neurokinin 1 receptor and Neurokinin 2 receptor, Uniprot P30547 and Q64077
DOI: 10.7270/q2sf2zb2
title: BindingDB Entry 50048488: 1-[2-[(Heteroarylmethoxy)aryl]carbamoyl]indolines are selective and orally active 5-HT2C receptor inverse agonists.

description: Small molecule binding data for protein Dopamine D2 receptor and serotonin 2a receptor and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2x63q4p
title: BindingDB Entry 50048487: 1-[2-[(Heteroaryloxy)heteroaryl]carbamoyl]indolines: novel and selective 5-HT2C receptor inverse agonists with potential as antidepressant/anxiolytic agents.

description: Small molecule binding data for protein Dopamine D2 receptor and serotonin 2a receptor and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.5519/qd.impau5zp
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.7270/q20z75ft
title: BindingDB Entry 50048494: Synthesis and biological evaluation of 2,5-dihydropyrazol.

description: Small molecule binding data for protein Phosphodiesterase 3 and Phosphodiesterase 4, Uniprot P14646, P27815, Q07343, Q08493, Q08499, Q13370, and Q14432
DOI: 10.7270/q23r0w2s
title: BindingDB Entry 50048501: Pharmacological evaluation of a diarylmethylene-piperidine derivative: a new potent atypical antipsychotic?

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin 2 (5-HT2) receptor, Uniprot P14416, P21917, P28223, P28335, and P41595
DOI: 10.7270/q24q7x55
title: BindingDB Entry 50048493: Novel 2,3,4,5-tetrahydro-1H-3-benzazepines with high affinity and selectivity for the dopamine D3 receptor.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q27h1ms3
title: BindingDB Entry 50048500: Structure-activity relationship investigations of a potent and selective benzodiazepine oxytocin antagonist.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559
DOI: 10.7270/q28g8nwg
title: BindingDB Entry 50048492: Synthesis and estrogen receptor binding affinities of novel pyrrolo[2,1,5-cd]indolizine derivatives.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372 and Q92731
DOI: 10.7270/q2d79dm6
title: BindingDB Entry 50048491: Differential antibacterial activity of moenomycin analogues on gram-positive bacteria.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q2h1347j
title: BindingDB Entry 50048498: Synthesis of a cyanopeptide-analogue with trypsin activating properties.

description: Small molecule binding data for protein Plasminogen, Thrombin and coagulation factor VII, and Trypsin, Uniprot P00734, P00747, and P07477
DOI: 10.7270/q2ms3vz5
title: BindingDB Entry 50048497: Phthalazine PDE4 inhibitors. Part 2: the synthesis and biological evaluation of 6-methoxy-1,4-disubstituted derivatives.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2rf5x6p
title: BindingDB Entry 50048496: Synthesis and pharmacology of a novel pyrrolo[2,1,5-cd] indolizine (NNC 45-0095), a high affinity non-steroidal agonist for the estrogen receptor.

description: Small molecule binding data for protein Estrogen receptor, Uniprot O08537, P03372, P19785, and Q92731
DOI: 10.7270/q2w66nx0
title: BindingDB Entry 50048495: Preparation of 5-(2,6-dideoxy-2-fluoro-alpha-L-talopyranosyloxy)-6-hydroxynap htho[2,3- f]quinoline-7,12-dione (FT-Alz), a new-type, potentially antitumor substance with various biological activities.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot P11388 and Q02880
DOI: 10.7270/q200048v
title: BindingDB Entry 50048502: Fine Tuning of physico-chemical parameters to optimise a new series of novobiocin analogues.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q22r3ttn
title: BindingDB Entry 50048509: New inhibitors of the thioredoxin-thioredoxin reductase system based on a naphthoquinone spiroketal natural product lead.

description: Small molecule binding data for protein Thioredoxin reductase 3, Uniprot Q86VQ6
DOI: 10.7270/q2b85b9j
title: BindingDB Entry 50048507: Synthesis of N-alkyl substituted indolocarbazoles as potent inhibitors of human cytomegalovirus replication.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot O94806, P05129, P05771, P17252, P24723, P41743, Q02156, Q04759, Q05513, Q05655, and Q15139
DOI: 10.7270/q2c82cht
title: BindingDB Entry 50048499: Antimitotic and cell growth inhibitory properties of combretastatin A-4-like ethers.

description: Small molecule binding data for protein Tubulin, Uniprot P02550 and P02554
DOI: 10.7270/q2g16318
title: BindingDB Entry 50048506: 1,3-Biarylureas as selective non-peptide antagonists of the orexin-1 receptor.

description: Small molecule binding data for protein Serotonin receptor (2b and 2c), Uniprot P28335 and P41595
DOI: 10.7270/q2ks6trw
title: BindingDB Entry 50048505: Design and synthesis of novel benzofurans as a new class of antifungal agents targeting fungal N-myristoyltransferase. Part 1.

description: Small molecule binding data for protein Adrenergic receptor beta and Peptide N-myristoyltransferase, Uniprot O60551, P07550, P08588, P13945, and P30419