cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25582/data.2020-03.1965065/2081569
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1971406/2081570
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965200/2081571
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965226/2081572
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1972383/2081573
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1972342/2081574
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965213/2081575
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1972343/2081576
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1971437/2081577
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-04.1974374/2081578
title: Data for EMSL Project 51129 from April 2020
DOI: 10.25582/data.2020-03.1965177/2081579
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965216/2081580
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965085/2081581
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1972320/2081582
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965189/2081583
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1971411/2081584
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965151/2081585
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1972359/2081586
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1971508/2081587
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2020-03.1965131/2081588
title: Data for EMSL Project 51129 from March 2020
DOI: 10.25582/data.2022-09.2609224/2081589
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2571473/2081590
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2609369/2081591
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2591011/2081592
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590891/2081593
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590983/2081594
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2591009/2081595
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2609390/2081596
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2590976/2081597
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590995/2081598
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2608912/2081599
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2591000/2081600
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2591015/2081601
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2609276/2081602
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2591001/2081603
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590946/2081604
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590996/2081605
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2609242/2081606
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-09.2609349/2081607
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-09.2608718/2081608
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2591017/2081609
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590997/2081610
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590944/2081611
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590975/2081612
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590943/2081613
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590890/2081614
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-08.2590977/2081615
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2609338/2081616
title: Data for EMSL Project 51240 from September 2022
DOI: 10.25582/data.2022-08.2590951/2081617
title: Data for EMSL Project 51240 from August 2022
DOI: 10.25582/data.2022-09.2609379/2081618
title: Data for EMSL Project 51240 from September 2022
DOI: 10.7270/q2tx3h7v
title: BindingDB Entry 50046969: Design and synthesis of calindol derivatives as potent and selective calcium sensing receptor agonists.

description: Small molecule binding data for protein Calcium sensing receptor, Uniprot P48442
DOI: 10.7270/q2v989zs
title: BindingDB Entry 50047486: Discovery and analgesic evaluation of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione as a novel potent d-amino acid oxidase inhibitor.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot O35078, P00371, and P14920
DOI: 10.7270/q2xw4mj3
title: BindingDB Entry 50045943: Reevaluation of the microsomal metabolism of montelukast: major contribution by CYP2C8 at clinically relevant concentrations.

description: Small molecule binding data for protein Cytochrome P450 2C8 and Cytochrome P450 2C9, Uniprot P10632 and P11712
DOI: 10.7270/q2zg6v6f
title: BindingDB Entry 50047996: A monocyclic neodysiherbaine analog: Synthesis and evaluation.

description: Small molecule binding data for protein GRIK1 and Grik2, Uniprot P39086 and Q13002
DOI: 10.7270/q2zp4801
title: BindingDB Entry 50046968: Design, synthesis and evaluation of novel 7-aminoalkyl-substituted flavonoid derivatives with improved cholinesterase inhibitory activities.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q22809jw
title: BindingDB Entry 50048004: Metabolism-based structure optimization: Discovery of a potent and orally available tyrosine kinase ALK inhibitor bearing the tetracyclic benzo[b]carbazolone core.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, ALK tyrosine kinase receptor, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Insulin-like growth factor I receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P00533, P04626, P08069, P09619, P10721, P12931, P16234, P29317, P35968, P40989, Q15303, and Q9UM73
DOI: 10.7270/q22v2j1p
title: BindingDB Entry 50047492: 2-hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs) as human immunodeficiency virus type 1 integrase inhibitors: Influence of the alkylcarboxamide substitution of position 4.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Integrase, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q25d8tkw
title: BindingDB Entry 50045949: Reversible inhibition of human carboxylesterases by acyl glucuronides.

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT) and Carboxylesterase 2, Uniprot O00748 and P23141
DOI: 10.7270/q261128m
title: BindingDB Entry 50048003: Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Serine/threonine-protein kinase PIM, Uniprot P11309, P40989, Q86V86, and Q9P1W9
DOI: 10.7270/q2668g28
title: BindingDB Entry 50046974: Peptide-based inhibitors of protein-protein interactions.

description: Small molecule binding data for protein Bcl-xL/BAK, E3 ubiquitin-protein ligase Mdm2, and Estradiol receptor alpha (ERα), Uniprot P03372, Q00987, and Q07817
DOI: 10.7270/q26m38r0
title: BindingDB Entry 50047491: Efficient synthesis of new antiproliferative steroidal hybrids using the molecular hybridization approach.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q29z96rt
title: BindingDB Entry 50046973: One-pot green synthesis of 1,3,5-triarylpentane-1,5-dione and triarylmethane derivatives as a new class of tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2bc41f8
title: BindingDB Entry 50047490: A structural insight into the P1S1 binding mode of diaminoethylphosphonic and phosphinic acids, selective inhibitors of alanine aminopeptidases.

description: Small molecule binding data for protein Aminopeptidase N and Leucine aminopeptidase (LAP), Uniprot P15144 and P15145
DOI: 10.7270/q2bk1f44
title: BindingDB Entry 50046462: Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.

description: Small molecule binding data for protein Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P25774, and P43235
DOI: 10.7270/q2dz0b1k
title: BindingDB Entry 50045947: Species-dependent uptake of glycylsarcosine but not oseltamivir in Pichia pastoris expressing the rat, mouse, and human intestinal peptide transporter PEPT1.

description: Small molecule binding data for protein Oligopeptide transporter small intestine isoform, Solute carrier family 15 member 1, and Solute carrier family 22 member 6, Uniprot P46059, P51574, Q4U2R8, and Q9JIP7
DOI: 10.7270/q2fq9zfq
title: BindingDB Entry 50046972: Expanding the structural diversity of diarylureas as multi-target tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Fibroblast growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P11362, and P35968
DOI: 10.7270/q2g162r8
title: BindingDB Entry 50047489: The design of 8-hydroxyquinoline tetracyclic lactams as HIV-1 integrase strand transfer inhibitors.

description: Small molecule binding data for protein Integrase
DOI: 10.7270/q2j968br
title: BindingDB Entry 50048008: 5-Aminopyrazole-4-carboxamide analogues are selective inhibitors of Plasmodium falciparum microgametocyte exflagellation and potential malaria transmission blocking agents.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, CGMP-dependent protein kinase, Calmodulin-domain protein kinase 1, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931 and P40989
DOI: 10.7270/q2jm2cc1
title: BindingDB Entry 50045946: Amide hydrolysis of a novel chemical series of microsomal prostaglandin E synthase-1 inhibitors induces kidney toxicity in the rat.

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2kd20s3
title: BindingDB Entry 50046971: Cyclic RGD peptidomimetics containing 4- and 5-amino-cyclopropane pipecolic acid (CPA) templates as dualaVß3 anda5ß1 integrin ligands.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, and P08648
DOI: 10.7270/q2nz89m0
title: BindingDB Entry 50048007: Variation of the aryl substituent on the piperazine ring within the 4-(piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine scaffold unveils potent, non-competitive inhibitors of the inflammatory caspases.

description: Small molecule binding data for protein Caspase-1, Caspase-4, and Caspase-5, Uniprot P29466, P49662, and P51878
DOI: 10.7270/q2pc343r
title: BindingDB Entry 50045945: Correlation between bilirubin glucuronidation and estradiol-3-gluronidation in the presence of model UDP-glucuronosyltransferase 1A1 substrates/inhibitors.

description: Small molecule binding data for protein Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uniprot P22309
DOI: 10.7270/q2pr7xr3
title: BindingDB Entry 50046467: Synthesis and structure-activity relationship of uracil nucleotide derivatives towards the identification of human P2Y6 receptor antagonists.

description: Small molecule binding data for protein Pyrimidinergic receptor P2Y6, Uniprot Q15077
DOI: 10.7270/q2q52rg0
title: BindingDB Entry 50046970: Design and synthesis of an activity-based protein profiling probe derived from cinnamic hydroxamic acid.

description: Small molecule binding data for protein ADAM17, Collagenase, Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), Histone deacetylase 8, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 10, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot A0A024QZ26, O15379, P03956, P08253, P08254, P09237, P09238, P14780, P22894, P39900, P45452, P50281, P56524, P78536, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2qj7k5k
title: BindingDB Entry 50047487: Design, synthesis and biological evaluation of pyrazol-furan carboxamide analogues as novel Akt kinase inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, ALK tyrosine kinase receptor, Cyclin-Dependent Kinase 2 (CDK2), Glycogen synthase kinase-3, Mitogen-activated protein kinase 9, PI3-kinase subunit alpha, RAF serine/threonine protein kinase, Rho-associated protein kinase, Ribosomal protein S6 kinase (P70S6K), Ribosomal protein S6 kinase alpha 1, Ribosomal protein S6 kinase alpha 5, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase Sgk1, Serine/threonine-protein kinase mTOR, Testis-specific serine/threonine-protein kinase 1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, and cGMP-dependent protein kinase, Uniprot O00141, O14757, O14965, O15530, O60674, O75582, P00519, P15056, P20248, P23443, P24941, P31749, P31751, P42336, P42345, P45984, P49841, Q13464, Q13976, Q15418, Q80YU1 Q61241, Q9UM73, and Q9Y243
DOI: 10.7270/q2sq92bq
title: BindingDB Entry 50048006: Inhibition of plasma lipid oxidation induced by peroxyl radicals, peroxynitrite, hypochlorite, 15-lipoxygenase, and singlet oxygen by clinical drugs.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Uniprot P39654
DOI: 10.7270/q2t43vtp
title: BindingDB Entry 50045944: Potent inhibition of human sulfotransferase 1A1 by 17a-ethinylestradiol: role of 3'-phosphoadenosine 5'-phosphosulfate binding and structural rearrangements in regulating inhibition and activity.

description: Small molecule binding data for protein Sulfotransferase 1A1 (SULT1A1), Uniprot P50225
DOI: 10.7270/q2th8pgt
title: BindingDB Entry 50046466: Ethylenedioxy homologs of N-methyl-(3,4-methylenedioxyphenyl)-2-aminopropane (MDMA) and its corresponding cathinone analog methylenedioxymethcathinone: Interactions with transporters for serotonin, dopamine, and norepinephrine.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P23977, P31645, P31652, and Q01959
DOI: 10.7270/q2xg9t22
title: BindingDB Entry 50048005: Discovery and preliminary structure-activity relationship of 1H-indazoles with promising indoleamine-2,3-dioxygenase 1 (IDO1) inhibition properties.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2z89f6j
title: BindingDB Entry 50046465: Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Cytochrome P450 3A5 (CYP3A5), Sphingosine 1-phosphate receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P20815, P21453, P33261, and Q12809
DOI: 10.7270/q21838gd
title: BindingDB Entry 50048012: Design, synthesis, and AChE inhibitory activity of new benzothiazole-piperazines.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q21n82vj
title: BindingDB Entry 50045950: Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for blood-brain barrier transport by murine equilibrative nucleoside transporter 1 mENT1.

description: Small molecule binding data for protein Equilibrative Nucleoside Transporter 1 (ENT1), Equilibrative nucleoside transporter 2, Sodium/nucleoside cotransporter 1, Sodium/nucleoside cotransporter 2, and Solute carrier family 28 member 3, Uniprot O00337, O43868, Q14542, Q99808, and Q9HAS3
DOI: 10.7270/q2222wk2
title: BindingDB Entry 50046472: Novel diazabicycloalkane delta opioid agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor (KOR), and Mu-type opioid receptor, Uniprot P32300, P33534, and P42866
DOI: 10.7270/q22f7q93
title: BindingDB Entry 50046975: Discovery of potent aryl-substituted 3-[(3-methylpyridine-2-carbonyl) amino]-2,4-dimethyl-benzoic acid EP4 antagonists with improved pharmacokinetic profile.

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 3A, Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, P34995, P35408, P43115, and P43116
DOI: 10.7270/q2514164
title: BindingDB Entry 50048011: II. Discovery of a novel series of CXCR3 antagonists with a beta amino acid core.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and chemokine (C-X-C motif) receptor 3, Uniprot P40989 and P49682
DOI: 10.7270/q28s4rw9
title: BindingDB Entry 50048010: I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q2959k9m
title: BindingDB Entry 50045948: Regiospecificity and stereospecificity of human UDP-glucuronosyltransferases in the glucuronidation of estriol, 16-epiestriol, 17-epiestriol, and 13-epiestradiol.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 1-10 and Uridine-5'-diphosphoglucuronosyltransferase 2B7, Uniprot P16662 and Q9HAW8
DOI: 10.7270/q29c70cs
title: BindingDB Entry 50047498: Synthesis and biological characterization of 3-(imidazol-1-ylmethyl)piperidine sulfonamides as aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q29k4d2n
title: BindingDB Entry 50046470: 2-Phenoxy-1,4-naphthoquinones: From a Multitarget Antitrypanosomal to a Potential Antitumor Profile.

description: Small molecule binding data for protein Glyceraldehyde-3-phosphate dehydrogenase liver, Uniprot P04406
DOI: 10.7270/q2dj5hm1
title: BindingDB Entry 50048009: Discovery of potent inhibitors of the lysophospholipase autotaxin.

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2f47r2p
title: BindingDB Entry 50047497: Novel sulfonamide bearing coumarin scaffolds as selective inhibitors of tumor associated carbonic anhydrase isoforms 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/q2fb54rh
title: BindingDB Entry 50046469: Synthesis and biological evaluation of 9-N-oxamyl sialosides as Siglec-7 ligands.

description: Small molecule binding data for protein Sialic acid-binding Ig-like lectin 7, Uniprot Q9Y286
DOI: 10.7270/q2jh3p1m
title: BindingDB Entry 50046979: 2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors.

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2jw8gsp
title: BindingDB Entry 50047496: (E)-3-Heteroarylidenechroman-4-ones as potent and selective monoamine oxidase-B 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/q2k0762x
title: BindingDB Entry 50046468: Optimization of 3-aryl-3-ethoxypropanoic acids and discovery of the potent GPR40 agonist DS-1558.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842 and Q8K3T4
DOI: 10.7270/q2nc62xh
title: BindingDB Entry 50045953: Metabolites of PPI-2458, a selective, irreversible inhibitor of methionine aminopeptidase-2: structure determination and in vivo activity.

description: Small molecule binding data for protein Cytochrome P450 3A and Microtubule-associated protein 2, Uniprot P08684 and P11137
DOI: 10.7270/q2p55qc2
title: BindingDB Entry 50046978: Design and discovery of new pyrimidine coupled nitrogen aromatic rings as chelating groups of JMJD3 inhibitors.

description: Small molecule binding data for protein Lysine-specific demethylase 6B (KDM6B), Uniprot O15054
DOI: 10.7270/q2pk0j26
title: BindingDB Entry 50047495: Substituted quinolines as noncovalent proteasome inhibitors.

description: Small molecule binding data for protein 20S proteasome chymotrypsin-like, Proteasome Macropain subunit, and Proteasome component C5, Uniprot P20618, P28074, and P49721
DOI: 10.7270/q2rv0qn8
title: BindingDB Entry 50048014: Structure-Activity Relationship, Drug Metabolism and Pharmacokinetics Properties Optimization, and in Vivo Studies of New Brain Penetrant Triple T-Type Calcium Channel Blockers.

description: Small molecule binding data for protein Cytochrome P450 3A and Voltage-gated T-type calcium channel, Uniprot O43497, O95180, P08684, and Q9P0X4
DOI: 10.7270/q2s46tp9
title: BindingDB Entry 50045952: Diabetes mellitus reduces activity of human UDP-glucuronosyltransferase 2B7 in liver and kidney leading to decreased formation of mycophenolic acid acyl-glucuronide metabolite.

description: Small molecule binding data for protein Uridine-5'-diphosphoglucuronosyltransferase 2B7, Uniprot P16662
DOI: 10.7270/q2sx6g21
title: BindingDB Entry 50046977: Carbamate substituted 2-amino-4,6-diphenylpyrimidines as adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a) and Adenosine receptor A1, Uniprot P25099 and P30543
DOI: 10.7270/q2tb18sh
title: BindingDB Entry 50047494: Quinazolines and quinazolinones as ubiquitous structural fragments in medicinal chemistry: An update on the development of synthetic methods and pharmacological diversification.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP), Uniprot P07650
DOI: 10.7270/q2ww7kdq
title: BindingDB Entry 50045951: Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.

description: Small molecule binding data for protein Kynurenine 3-monooxygenase, Uniprot O15229, O88867, and Q91WN4