cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q21j9dtk
title: BindingDB Entry 9185: Tricyclic fused pyridin-2-one derivatives and their use as BRD4 inhibitors

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q21j9dv1
title: BindingDB Entry 9572: Matrix metalloproteinase (MMP) inhibitors and methods of use thereof

description: Small molecule binding data for protein Macrophage metalloelastase, Uniprot P39900
DOI: 10.7270/q21j9dwg
title: BindingDB Entry 9959: Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q21j9dxx
title: BindingDB Entry 10346: Fused ring derivative having MGAT-2 inhibitory activity

description: Small molecule binding data for protein Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, Uniprot Q10469
DOI: 10.7270/q21j9dzc
title: BindingDB Entry 10555: Heterocyclic compounds as adenosine antagonists

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P29274
DOI: 10.7270/q21j9f07
title: BindingDB Entry 10733: Pyrimidinones as PI3K inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q21j9f1p
title: BindingDB Entry 50004433: Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase XIAP, Uniprot P98170
DOI: 10.7270/q21j9f24
title: BindingDB Entry 50007242: Synthesis and mechanistic studies of diketo acids and their bioisosteres as potential antibacterial agents.

description: Small molecule binding data for protein Cholesterol side-chain cleavage enzyme, mitochondrial, Uniprot P14137
DOI: 10.7270/q21j9f3k
title: BindingDB Entry 50007859: Enhanced tumor retention of NTSR1-targeted agents by employing a hydrophilic cysteine cathepsin inhibitor.

description: Small molecule binding data for protein Cathepsin B, Neurotensin receptor type 1, and Procathepsin L, Uniprot P07711, P07858, and P30989
DOI: 10.7270/q21j9f41
title: BindingDB Entry 50008467: The Development Process for Discovery and Clinical Advancement of Modern Antimalarials.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 3A4, Dihydroorotate dehydrogenase (quinone), mitochondrial, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot P08684, P40989, Q02127, Q08210, Q13936, and Q14524
DOI: 10.7270/q21j9f5g
title: BindingDB Entry 50008847: Synthesis and molecular modeling of novel non-sulfonylureas as hypoglycemic agents and selective ALR2 inhibitors.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member B1, Uniprot P15121
DOI: 10.7270/q21j9f6x
title: BindingDB Entry 50009115: Applications of amide isosteres in medicinal chemistry.

description: Small molecule binding data for protein Beta-secretase 1, Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Neutrophil elastase, Uniprot P08246, P35372, P41143, P41145, and P56817
DOI: 10.7270/q21j9f7c
title: BindingDB Entry 50009462: Design, synthesis, and biological evaluation of 4-phenoxyquinoline derivatives as potent c-Met kinase inhibitor.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q21j9f8t
title: BindingDB Entry 50009752: Synthesis and biological evaluation of novel potent FFA1 agonists containing 2,3-dihydrobenzo[b][1,4]dioxine.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q21j9f98
title: BindingDB Entry 50010075: Development of single and mixed isoform selectivity PI3Kδ inhibitors by targeting Asn836 of PI3Kδ.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q21j9fbq
title: BindingDB Entry 50010632: From PARP1 to TNKS2 Inhibition: A Structure-Based Approach.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, and Poly [ADP-ribose] polymerase tankyrase-2, Uniprot O95271, P09874, Q9H2K2, and Q9UGN5
DOI: 10.7270/q21j9fc5
title: BindingDB Entry 50011272: Utilizing comprehensive and mini-kinome panels to optimize the selectivity of quinoline inhibitors for cyclin G associated kinase (GAK).

description: Small molecule binding data for protein Activin receptor type-1, Atypical kinase COQ8A, mitochondrial, Bone morphogenetic protein receptor type-1B, Cyclin-G-associated kinase, Dual specificity mitogen-activated protein kinase kinase 5, Ephrin type-A receptor 1, Ephrin type-A receptor 8, Ephrin type-B receptor 6, Epidermal growth factor receptor, Interleukin-1 receptor-associated kinase 3, Proto-oncogene tyrosine-protein kinase Src, Receptor-interacting serine/threonine-protein kinase 2, Serine/threonine-protein kinase NLK, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Lck, and Tyrosine-protein kinase TXK, Uniprot O00238, O14976, O15197, O43353, P00519, P00533, P06239, P12931, P21709, P29322, P42681, Q04771, Q13163, Q8NI60, Q9UBE8, and Q9Y616
DOI: 10.7270/q21j9fdm
title: BindingDB Entry 50011901: Design, synthesis and biological evaluation of novel thiazole-based derivatives as human Pin1 inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q21j9ff2
title: BindingDB Entry 50012237: Structure-based design, semi-synthesis and anti-inflammatory activity of tocotrienolic amides as 5-lipoxygenase inhibitors.

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase, Uniprot P09917
DOI: 10.7270/q21j9fgh
title: BindingDB Entry 50012529: Development of cyanopyridine-triazine hybrids as lead multitarget anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q21j9fhz
title: BindingDB Entry 50012855: Design, synthesis, biological evaluation, QSAR analysis and molecular modelling of new thiazol-benzimidazoles as EGFR inhibitors.

description: Small molecule binding data for protein DNA topoisomerase 1, DNA topoisomerase 2-alpha, Dual specificity mitogen-activated protein kinase kinase 1/2, Epidermal growth factor receptor, Mast/stem cell growth factor receptor Kit, Proto-oncogene tyrosine-protein kinase Src, Serine/threonine-protein kinase B-raf, and Tyrosine-protein kinase ABL1, Uniprot P00519, P00533, P10721, P11387, P11388, P12931, P15056, P36507, and Q02750
DOI: 10.7270/q21j9fjd
title: BindingDB Entry 50013502: Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.

description: Small molecule binding data for protein Nicotinamide N-methyltransferase, Uniprot O55239 and P40261
DOI: 10.7270/q21j9fkv
title: BindingDB Entry 50014157: A Retrospective Look at the Impact of Binding Site Environment on the Optimization of TRPA1 Antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762 and Q6RI86
DOI: 10.7270/q21n846v
title: BindingDB Entry 9154: Heterocyclic compounds for the treatment of disease

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1, Uniprot P21453
DOI: 10.7270/q21n8479
title: BindingDB Entry 9363: Materials and method for inhibiting replication protein A and uses thereof

description: Small molecule binding data for protein Replication protein A 70 kDa DNA-binding subunit, Uniprot P27694
DOI: 10.7270/q21n848r
title: BindingDB Entry 9750: Tank-binding kinase-1 PROTACs and associated methods of use

description: Small molecule binding data for protein Serine/threonine-protein kinase TBK1, Uniprot Q9UHD2
DOI: 10.7270/q21n8496
title: BindingDB Entry 10137: [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto

description: Small molecule binding data for protein Synaptic vesicular amine transporter, Uniprot Q01827 and Q05940
DOI: 10.7270/q21n84bn
title: BindingDB Entry 10524: Pyrrolidine compounds

description: Small molecule binding data for protein Apolipoprotein(a), Uniprot P08519
DOI: 10.7270/q21n84c3
title: BindingDB Entry 10911: Cyclic dinucleotides as sting agonists

description: Small molecule binding data for protein Stimulator of interferon genes protein [139-379, H232R] and Stimulator of interferon genes protein [H232R], Uniprot Q86WV6
DOI: 10.7270/q21n84dj
title: BindingDB Entry 50006930: Design of novel monoamine oxidase-B inhibitors based on piperine scaffold: Structure-activity-toxicity, drug-likeness and efflux transport studies.

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/q21n84f0
title: BindingDB Entry 50007198: Design and synthesis of rosiglitazone-ferulic acid-nitric oxide donor trihybrids for improving glucose tolerance.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q21n84gf
title: BindingDB Entry 50007542: Profiling withanolide A for therapeutic targets in neurodegenerative diseases.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q21n84hw
title: BindingDB Entry 50008147: Discovery of GSK8612, a Highly Selective and Potent TBK1 Inhibitor.

description: Small molecule binding data for protein AP2-associated protein kinase 1, Inhibitor of nuclear factor kappa-B kinase subunit epsilon, Phosphatidylinositol 4-kinase beta, Serine/threonine-protein kinase 17B, and Serine/threonine-protein kinase TBK1, Uniprot O94768, Q14164, Q2M2I8, Q9UBF8, and Q9UHD2
DOI: 10.7270/q21n84jb
title: BindingDB Entry 50008792: Design, synthesis and biological evaluation of novel isoindolinone derivatives as potent histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 8, and Polyamine deacetylase HDAC10, Uniprot O15379, Q13547, Q92769, Q969S8, Q96DB2, and Q9BY41
DOI: 10.7270/q21n84ks
title: BindingDB Entry 50009410: Targeting the subpocket in xanthine oxidase: Design, synthesis, and biological evaluation of 2-[4-alkoxy-3-(1H-tetrazol-1-yl) phenyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid derivatives.

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P80457
DOI: 10.7270/q21n84m7
title: BindingDB Entry 50010021: Synthesis and carbonic anhydrase inhibitory effects of new N-glycosylsulfonamides incorporating the phenol moiety.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q21n84np
title: BindingDB Entry 50010332: Bioactive Dimeric Acylphloroglucinols from the Mexican Fern Elaphoglossum paleaceum.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P19643 and P21396
DOI: 10.7270/q21n84p4
title: BindingDB Entry 50010578: Discovery of 4-((2

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Alpha-1A adrenergic receptor, Alpha-2C adrenergic receptor, Complement factor B, and Complement factor D, Uniprot P00746, P00751, P04186, P18825, P35348, and P40989
DOI: 10.7270/q21n84qk
title: BindingDB Entry 50010941: Structural modifications of indolinones bearing a pyrrole moiety and discovery of a multi-kinase inhibitor with potent antitumor activity.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Fibroblast growth factor receptor 1, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, Serine/threonine-protein kinase B-raf, Serine/threonine-protein kinase Chk1, Tyrosine-protein kinase Lyn, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot O14757, P07948, P09619, P10721, P11362, P11802, P12931, P15056, P17948, P24941, and P35968
DOI: 10.7270/q21n84r1
title: BindingDB Entry 50011566: Discovery of isoquinolinone and naphthyridinone-based inhibitors of poly(ADP-ribose) polymerase-1 (PARP1) as anticancer agents: Structure activity relationship and preclinical characterization.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, Poly [ADP-ribose] polymerase tankyrase-2, and Protein mono-ADP-ribosyltransferase PARP3, Uniprot O95271, P09874, Q9H2K2, Q9UGN5, and Q9Y6F1
DOI: 10.7270/q21n84sg
title: BindingDB Entry 50012180: EST64454: a Highly Soluble σ

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Sigma non-opioid intracellular receptor 1, Uniprot P05177, P08684, P10635, P11712, P33261, P40989, and Q99720
DOI: 10.7270/q21n84tx
title: BindingDB Entry 50012805: Synthesis and biological evaluation of parthenolide derivatives with reduced toxicity as potential inhibitors of the NLRP3 inflammasome.

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3, Uniprot Q8R4B8 and Q96P20
DOI: 10.7270/q21n84vc
title: BindingDB Entry 50013168: Identification and Profiling of a Novel Diazaspiro[3.4]octane Chemical Series Active against Multiple Stages of the Human Malaria Parasite

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q21n84wt
title: BindingDB Entry 50013458: From a Designer Drug to the Discovery of Selective Cannabinoid Type 2 Receptor Agonists with Favorable Pharmacokinetic Profiles for the Treatment of Systemic Sclerosis.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q21n84x8
title: BindingDB Entry 50013802: Novel CFTR Modulators for Treating Cystic Fibrosis.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot P13569
DOI: 10.7270/q21n84zq
title: BindingDB Entry 50014458: Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Bile salt export pump, Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Cytochrome P450 3A4, Uniprot O95342, P08684, P25440, P40989, Q15059, and Q58F21
DOI: 10.7270/q21r6tjw
title: BindingDB Entry 9332: Pyridine derivatives and their use in the treatment of cancer and hemoglobinopathies

description: Small molecule binding data for protein Protein arginine N-methyltransferase 5, Uniprot O14744
DOI: 10.7270/q21r6tkb
title: BindingDB Entry 9541: WDR5 inhibitors and modulators

description: Small molecule binding data for protein WD repeat-containing protein 5, Uniprot P61964
DOI: 10.7270/q21r6tms
title: BindingDB Entry 9719: Pyrazole MAGL inhibitors

description: Small molecule binding data for protein Fatty acid 2-hydroxylase and Monoglyceride lipase, Uniprot Q7L5A8 and Q99685
DOI: 10.7270/q21r6tn7
title: BindingDB Entry 9928: Therapeutic inhibitory compounds

description: Small molecule binding data for protein Plasma kallikrein, Uniprot P03952
DOI: 10.7270/q21r6tpp
title: BindingDB Entry 10106: Anti-HIV compounds

description: Small molecule binding data for protein HIV-1 protease, Uniprot O90785
DOI: 10.7270/q21r6tq4
title: BindingDB Entry 10315: 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative

description: Small molecule binding data for protein Nuclear factor NF-kappa-B p105 subunit, Uniprot P19838
DOI: 10.7270/q21r6trk
title: BindingDB Entry 10702: Substituted spiro[cyclopropane-1,5′-pyrrolo[2,3-d]pyrimidin]-6′(7′h)-ones as CDK2 inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Uniprot P24864 and P24941
DOI: 10.7270/q21r6ts1
title: BindingDB Entry 50006884: Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries.

description: Small molecule binding data for protein M-phase inducer phosphatase 1, M-phase inducer phosphatase 2, and M-phase inducer phosphatase 3, Uniprot P30304, P30305, and P30307
DOI: 10.7270/q21r6ttg
title: BindingDB Entry 50007491: Synthesis and evaluation of histamine H

description: Small molecule binding data for protein Histamine H1 receptor and Histamine H3 receptor, Uniprot P31389 and Q9QYN8
DOI: 10.7270/q21r6tvx
title: BindingDB Entry 50007815: Inhibitor of Apoptosis Protein (IAP) Antagonists in Anticancer Agent Discovery: Current Status and Perspectives.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7, Caspase-9, and E3 ubiquitin-protein ligase XIAP, Uniprot P55211, P98170, Q13489, Q13490, and Q96CA5
DOI: 10.7270/q21r6twc
title: BindingDB Entry 50008100: Discovery of aryl-substituted indole and indoline derivatives as RORγt agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q21r6txt
title: BindingDB Entry 50008415: Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Epidermal growth factor receptor, and Tyrosine-protein kinase BTK, Uniprot P00533, P40989, and Q06187
DOI: 10.7270/q21r6tz8
title: BindingDB Entry 50009071: Development of Small-Molecules Targeting Receptor Activator of Nuclear Factor-κB Ligand (RANKL)-Receptor Activator of Nuclear Factor-κB (RANK) Protein-Protein Interaction by Structure-Based Virtual Screening and Hit Optimization.

description: Small molecule binding data for protein Tumor necrosis factor and Tumor necrosis factor ligand superfamily member 11, Uniprot O14788, O35235, and P01375
DOI: 10.7270/q21r6v04
title: BindingDB Entry 50009697: Synthesis of certain benzothieno[3,2-d]pyrimidine derivatives as a selective SIRT2 inhibitors.

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, and NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q21r6v1k
title: BindingDB Entry 50010274: Development of an N-Acyl Amino Acid That Selectively Inhibits the Glycine Transporter 2 To Produce Analgesia in a Rat Model of Chronic Pain.

description: Small molecule binding data for protein Sodium- and chloride-dependent glycine transporter 1 and Sodium- and chloride-dependent glycine transporter 2, Uniprot P48067 and Q9Y345
DOI: 10.7270/q21r6v21
title: BindingDB Entry 50010883: Discovery of 3-Quinazolin-4(3

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P05177, P08684, P10635, P11712, P33261, P40989, P42336, P42338, and Q9JHG7
DOI: 10.7270/q21r6v3g
title: BindingDB Entry 50011222: Design and Structural Optimization of Dual FXR/PPARδ Activators.

description: Small molecule binding data for protein Bile acid receptor and Peroxisome proliferator-activated receptor delta, Uniprot Q03181 and Q96RI1
DOI: 10.7270/q21r6v4x
title: BindingDB Entry 50011517: Discovery of a novel potent GPR40 full agonist.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2D6, Cytochrome P450 3A4, Free fatty acid receptor 1, and Melanocortin receptor 4, Uniprot O14842, P05177, P08684, P10632, P10635, P33261, P70596, and Q76JU9
DOI: 10.7270/q21r6v5c
title: BindingDB Entry 50011848: Structure-based discovery of novel 4-(2-fluorophenoxy)quinoline derivatives as c-Met inhibitors using isocyanide-involved multicomponent reactions.

description: Small molecule binding data for protein Epidermal growth factor receptor, Hepatocyte growth factor receptor, Macrophage-stimulating protein receptor, Mast/stem cell growth factor receptor Kit, Receptor-type tyrosine-protein kinase FLT3, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot P00533, P08581, P10721, P35916, P35968, P36888, and Q04912
DOI: 10.7270/q21r6v6t
title: BindingDB Entry 50012467: Azatricyclic Inverse Agonists of RORγt That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 3A4, Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Oxysterols receptor LXR-alpha, and Oxysterols receptor LXR-beta, Uniprot O75469, P08684, P10632, P11712, P33261, P35398, P51449, P55055, Q13133, and Q92753
DOI: 10.7270/q21r6v78
title: BindingDB Entry 50013123: A novel [5.2.1]bicyclic amine is a potent analgesic without µ opioid activity.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q21r6v8q
title: BindingDB Entry 50013761: Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central Aβ reduction.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.34740/kaggle/dsv/5062249
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.7270/q21r6v95
title: BindingDB Entry 50014105: Halting colorectal cancer metastasis via novel dual nanomolar MMP-9/MAO-A quinoxaline-based inhibitors; design, synthesis, and evaluation.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Matrix metalloproteinase-9, Uniprot P14780, P21397, and P27338