cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q25x27tw
title: BindingDB Entry 8218: Pyrrolidine derivatives and their use as complement pathway modulators

description: Small molecule binding data for protein Factor D, Uniprot P00746
DOI: 10.7270/q26h4g56
title: BindingDB Entry 6923: Pyrrolo[2,3-D]pyrimidine derivatives

description: Small molecule binding data for protein JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2862f8w
title: BindingDB Entry 7537: mTOR Inhibition with eCF309

description: Small molecule binding data for protein Serine/threonine-protein kinase mTOR, Uniprot P42345
DOI: 10.7270/q29p30jm
title: BindingDB Entry 8217: Heterocyclic amide derivatives as P2X7 receptor antagonists

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2cz35zf
title: BindingDB Entry 7536: Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in HeLa Cells

description: Small molecule binding data for protein CFTR, Uniprot P13569
DOI: 10.7270/q2f18xhx
title: BindingDB Entry 6929: Solid forms of gyrase inhibitor (R)-1-ethyl-3-[6-fluoro-5-[2-(1-hydroxy-1-methyl-ethyl)pryimidin-5-yl]-7-(tetrahydrofuran-2-yl)-1H-benzimidazol-2-yl]urea

description: Small molecule binding data for protein DNA Gyrase and DNA topoisomerase 4, Uniprot P0A0K8, P20831, Q2FYS4, and Q2FYS5
DOI: 10.7270/q2ff3r8z
title: BindingDB Entry 8216: Heterocyclic amide derivatives as P2X7 receptor antagonists

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2hq3xq7
title: BindingDB Entry 7535: Identify HuR specific inhibitors

description: Small molecule binding data for protein HuR RNA binding protein
DOI: 10.7270/q2js9p6w
title: BindingDB Entry 6928: [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q2k64h0p
title: BindingDB Entry 8215: Pyrrolotriazinone derivatives as PI3K inhibitors

description: Small molecule binding data for protein PI3-kinase subunit delta, Uniprot O00329
DOI: 10.7270/q2ng4pfz
title: BindingDB Entry 7534: IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors

description: Small molecule binding data for protein Aldo-keto reductase family member 1B10 (AKR1B10), Aldose reductase (AR), Aldose reductase L301M (AR), and Methylated AKR1B10 K125R/V301L (AKME2MU), Uniprot O60218 and P15121
DOI: 10.7270/q2pg1qg0
title: BindingDB Entry 6927: Chemical compounds 542

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q2r78d19
title: BindingDB Entry 7541: Triazolopyridine compounds

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2s75f5p
title: BindingDB Entry 7533: Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists

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/q2t72g58
title: BindingDB Entry 6926: Chemical compounds

description: Small molecule binding data for protein Sodium-dependent bile acid transporter (iBAT), Uniprot Q12908
DOI: 10.7270/q2tq60dz
title: BindingDB Entry 8213: Method of treating conditiions with kinase inhibitors

description: Small molecule binding data for protein Platelet-derived growth factor receptor beta and Vascular endothelial growth factor receptor 2, Uniprot P09619 and P35968
DOI: 10.7270/q2xg9q1c
title: BindingDB Entry 8220: Substituted 1,2,3,4-tetrahydro-2,6-naphthyridines as factor XIa inhibitors

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2z036wk
title: BindingDB Entry 6925: Method of treating human skin and a skin care composition for use in such a method

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2zc81sv
title: BindingDB Entry 8212: Serine/threonine kinase inhibitors

description: Small molecule binding data for protein MAP kinase ERK2 and Ribosomal protein S6 kinase alpha 1, Uniprot Q15418
DOI: 10.7270/q20r9n48
title: BindingDB Entry 6940: Inhibition of small ubiquitin-like modifier enzymes with substituted pyrrolo[2,3-b]quinoxalines

description: Small molecule binding data for protein SUMO-activating enzyme, Uniprot Q9UBE0 and Q9UBT2
DOI: 10.7270/q21835d8
title: BindingDB Entry 8227: Definition of peptide inhibitors from a synthetic peptide library by targeting gelatinase B/matrix metalloproteinase-9 (MMP-9) and TNF-α converting enzyme (TACE/ADAM-17).

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix Metalloproteinase-8 (MMP-8), and Stromelysin-1, Uniprot P08254, P14780, P22894, and P78536
DOI: 10.7270/q21r6p8n
title: BindingDB Entry 6932: Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q23j3bsn
title: BindingDB Entry 7546: Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities

description: Small molecule binding data for protein Beta-2 adrenergic receptor and beta-3 adrenergic receptor and Muscarinic acetylcholine receptor, Uniprot P07550 and P20309
DOI: 10.7270/q24x56ph
title: BindingDB Entry 8226: Thyroid hormone analogs

description: Small molecule binding data for protein Thyroid Hormone Receptor Beta/ Retinoid X Receptor
DOI: 10.7270/q27943gx
title: BindingDB Entry 7545: Inhibition of WDR5 interaction with its binding partners

description: Small molecule binding data for protein WD repeat-containing protein 5 (WDR5)
DOI: 10.7270/q28914m9
title: BindingDB Entry 6938: Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy

description: Small molecule binding data for protein Glycine transporter 1, Uniprot P48067
DOI: 10.7270/q28p5zcd
title: BindingDB Entry 8225: Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Uniprot P10415
DOI: 10.7270/q29885sk
title: BindingDB Entry 6930: Melanocortin receptor-specific peptides

description: Small molecule binding data for protein Melanocortin receptor 4 and Melanocyte-stimulating hormone receptor, Uniprot P32245 and Q01726
DOI: 10.7270/q2bz64wz
title: BindingDB Entry 7544: Phosphoinositide 3-kinase inhibitors

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2d21wc3
title: BindingDB Entry 6937: Biphenyl derivatives useful as glucagon receptor antagonists

description: Small molecule binding data for protein Glucagon, Uniprot P01275
DOI: 10.7270/q2df6q34
title: BindingDB Entry 8224: Pyrimidinyl-pyridazinone derivatives for treating a disease which is influenced by inhibition of met kinase

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2gq6wkv
title: BindingDB Entry 7543: Method of treatment using substituted imidazo[1,2B]pyridazine compounds

description: Small molecule binding data for protein Neurotrophic tyrosine kinase receptor, Uniprot P04629
DOI: 10.7270/q2h70dq2
title: BindingDB Entry 8231: Chromone containing sulfonamides as potent carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, and P23280
DOI: 10.7270/q2ht2n3h
title: BindingDB Entry 6936: Histone deacetylase inhibitor of benzamides and use thereof

description: Small molecule binding data for protein Histone deacetylase, Uniprot Q92769
DOI: 10.7270/q2j67ftf
title: BindingDB Entry 8223: Depsipeptide and uses thereof

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2kh0m49
title: BindingDB Entry 7550: Kinase inhibitors

description: Small molecule binding data for protein Platelet-derived growth factor receptor beta and Vascular endothelial growth factor receptor 2, Uniprot P09619 and P35968
DOI: 10.7270/q2mg7n9k
title: BindingDB Entry 7542: Pyridine CGRP receptor antagonists

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q2nk3csc
title: BindingDB Entry 6935: Pyrazole-amide compounds and pharmaceutical use thereof

description: Small molecule binding data for protein Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1) and Pyruvate dehydrogenase kinase isoform 2 (PDHK2), Uniprot Q15118 and Q15119
DOI: 10.7270/q2nz86jv
title: BindingDB Entry 8222: Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation

description: Small molecule binding data for protein Cytochrome P450 2C9 and Cytochrome P450 3A, Uniprot P08684 and P11712
DOI: 10.7270/q2q81bvm
title: BindingDB Entry 7549: Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1

description: Small molecule binding data for protein Glycine transporter 1, Uniprot P48067
DOI: 10.7270/q2rr1x5t
title: BindingDB Entry 8229: Polyphenol fatty acid esters as serine protease inhibitors: a quantum-chemical QSAR analysis.

description: Small molecule binding data for protein Elastase, Thrombin, Trypsin, and Urokinase-type plasminogen activator, Uniprot P00735, P00749, P00760, and P00772
DOI: 10.7270/q2s75f3s
title: BindingDB Entry 6934: IRE-1α inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha, Uniprot O75460
DOI: 10.7270/q2sq8z9n
title: BindingDB Entry 8221: Imidazopyridine derivatives

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2v123kb
title: BindingDB Entry 7548: Sulfonamide compounds

description: Small molecule binding data for protein 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) and 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4), Uniprot Q16875 and Q16877
DOI: 10.7270/q2w094rm
title: BindingDB Entry 7540: Compounds and compositions as inhibitors of MEK

description: Small molecule binding data for protein BRAF-MEK-ERK, Uniprot P15056, P28482, and Q02750
DOI: 10.7270/q2wh2nxk
title: BindingDB Entry 8228: Effects of some drugs on human cord blood erythrocyte carbonic anhydrases I and II: an in vitro study.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2x065sn
title: BindingDB Entry 6933: Compounds and methods useful for directing stem cell differentiation

description: Small molecule binding data for protein 5'-AMP-activated protein kinase subunit beta-1, Activin receptor type-1, TGF-beta receptor type I, and Vascular endothelial growth factor receptor 2, Uniprot P35968, P36897, Q04771, and Q9Y478
DOI: 10.7270/q2zs2v9c
title: BindingDB Entry 7547: Pyrrolo pyrimidine derivatives

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q208647f
title: BindingDB Entry 8235: Inhibition of mammalian carbonic anhydrase isoforms I, II and VI with thiamine and thiamine-like molecules.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, and P23280
DOI: 10.7270/q22j69pq
title: BindingDB Entry 7554: Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q23j3bp9
title: BindingDB Entry 6947: Amides as modulators of sodium channels

description: Small molecule binding data for protein Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot Q62968
DOI: 10.7270/q2416vzc
title: BindingDB Entry 8234: 2-Amino-3-cyanopyridine derivatives as carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q24j0cv4
title: BindingDB Entry 6939: 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q26972df
title: BindingDB Entry 7553: Substituted phenyl hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q27943d1
title: BindingDB Entry 6946: Bivalent ligands for the treatment of neurological disorders

description: Small molecule binding data for protein C-C chemokine receptor type 5 and Mu-type opioid receptor, Uniprot P35372 and P51681
DOI: 10.7270/q27p8x9x
title: BindingDB Entry 8233: Carbonic anhydrase inhibitors: inhibition of human and bovine isoenzymes by benzenesulphonamides, cyclitols and phenolic compounds.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 3 (CA III), and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, P23280, and Q3SZX4
DOI: 10.7270/q2b27t3b
title: BindingDB Entry 7552: Compounds that are ERK inhibitors

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2c24v5t
title: BindingDB Entry 6945: Heteroaromatic compounds and their use as dopamine D1 ligands

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Uniprot P21728
DOI: 10.7270/q2cf9p06
title: BindingDB Entry 8232: Nitrogen-containing polyhydroxylated aromatics as HIV-1 integrase inhibitors: synthesis, structure-activity relationship analysis, and biological activity.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2fq9vfg
title: BindingDB Entry 7551: Aryl dihydropyridinones and piperidinone MGAT2 inhibitors

description: Small molecule binding data for protein Monoacylglycerol acyltransferase type 2 (h-MGAT2), Uniprot Q10469
DOI: 10.7270/q2gt5kx8
title: BindingDB Entry 6944: Selective caspase inhibitors and uses thereof

description: Small molecule binding data for protein Caspase-1, Caspase-10, Caspase-2, Caspase-3, Caspase-4, Caspase-5, Caspase-6, Caspase-7, Caspase-8, and Caspase-9, Uniprot P29466, P42574, P42575, P49662, P51878, P55210, P55211, P55212, Q14790, and Q92851
DOI: 10.7270/q2jm28fp
title: BindingDB Entry 7558: VEGFR3 inhibitors

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 and Vascular endothelial growth factor receptor 2, Uniprot P35916 and P35968
DOI: 10.7270/q2m0449d
title: BindingDB Entry 8238: Carbonic anhydrases inhibitory effects of new benzenesulfonamides synthesized by using superacid chemistry.

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/q2mk6bn0
title: BindingDB Entry 6943: 5-HT3 receptor modulators, methods of making, and use thereof

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2n015fs
title: BindingDB Entry 8230: Synthesis and biological evaluation of novel N, N'-disubstituted urea and thiourea derivatives as potential anti-melanoma agents.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase; MEK1/2, ETS domain-containing protein (Elk1), Mitogen-activated protein kinase; ERK1/ERK2, and Ribosomal protein S6 kinase alpha 1, Uniprot P19419, P27361, P28482, P36507, Q02750, and Q15418
DOI: 10.7270/q2p849q7
title: BindingDB Entry 7557: Heteroaryl compounds and uses thereof

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor (EGFR) (delE756-A750), and Epidermal growth factor receptor(L858R, T790M), Uniprot P00533
DOI: 10.7270/q2qr4w1f
title: BindingDB Entry 8237: Carbonic anhydrase inhibitors: in vitro inhibition of α isoforms (hCA I, hCA II, bCA III, hCA IV) by flavonoids.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 3 (CA III), and Carbonic anhydrase 4, Uniprot P00915, P00918, P22748, and Q3SZX4
DOI: 10.7270/q2rb73b8
title: BindingDB Entry 6942: Inhibitors of beta-secretase

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2t152fz
title: BindingDB Entry 7556: Beta-amyloid-directed multitarget compounds for the treatment of alzheimer's disease

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Cholinesterase, Uniprot O42275, P06276, P22303, and P56817
DOI: 10.7270/q2v40szt
title: BindingDB Entry 6949: Inhibitors of the Renal Outer Medullary Potassium channel

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, Uniprot P48048
DOI: 10.7270/q2vh5mrr
title: BindingDB Entry 8236: Simple methanesulfonates are hydrolyzed by the sulfatase carbonic anhydrase activity.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, P22748, and P23280
DOI: 10.7270/q2w094pq
title: BindingDB Entry 6941: Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2xs5t6f
title: BindingDB Entry 7555: Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy

description: Small molecule binding data for protein Glycine transporter 1, Uniprot P48067
DOI: 10.7270/q21j98ks
title: BindingDB Entry 7562: Novel 1,3,4-oxadiazole/oxime hybrids: Synthesis, docking studies and investigation of anti-inflammatory, ulcerogenic liability and analgesic activities.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q22j69mt
title: BindingDB Entry 6956: Cyclic ether DGAT1 inhibitorscyclic ether DGAT1 inhibitors

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2319tsj
title: BindingDB Entry 8242: New protein farnesyltransferase inhibitors in the 3-arylthiophene 2-carboxylic acid series: diversification of the aryl moiety by solid-phase synthesis.

description: Small molecule binding data for protein Farnesyltransferase (FTase), Protein Farnesyltransferase (PFT), and Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit, Uniprot P22007, P29703, P49354, P49356, Q9NC76, and Q9NC77
DOI: 10.7270/q25b0192
title: BindingDB Entry 7561: IRE-1α inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha, Uniprot O75460
DOI: 10.7270/q2697293
title: BindingDB Entry 6955: 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl)oxy)napththalen-1-yl) ureas as p38 MAP kinase inhibitors

description: Small molecule binding data for protein Glycogen synthase kinase-3, Mitogen-activated protein kinase 14, SRC, Tyrosine-protein kinase SYK, VEGF-receptor 2 and tyrosine-protein kinase SRC, and p38 delta/gamma, Uniprot P08631, P12931, P43405, P49840, P49841, P53778, and Q16539
DOI: 10.7270/q26t0khh
title: BindingDB Entry 8241: Kinetic characterization of a slow-binding inhibitor of Bla2: thiomaltol.

description: Small molecule binding data for protein β-lactamase (Bla2), Uniprot Q93T40
DOI: 10.7270/q2833qv5
title: BindingDB Entry 7568: 1,4 oxazines as BACE1 and/or BACE2 inhibitors

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, Cathepsin E, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P07339, P08684, P10635, P11712, P14091, P56817, and Q9Y5Z0
DOI: 10.7270/q2930s1d
title: BindingDB Entry 7560: Substituted piperidinyl-carboxamide derivatives useful as SCD 1 inhibitors

description: Small molecule binding data for protein Stearoyl-CoA desaturase 1 (SCD1), Uniprot P07308
DOI: 10.7270/q2b27t1f
title: BindingDB Entry 6954: Pyridone amides as modulators of sodium channels

description: Small molecule binding data for protein Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot Q62968
DOI: 10.7270/q2bg2mwd
title: BindingDB Entry 8240: Inhibitory properties of ibuprofen and its amide analogues towards the hydrolysis and cyclooxygenation of the endocannabinoid anandamide.

description: Small molecule binding data for protein Anandamide amidohydrolase, Uniprot P97612
DOI: 10.7270/q2dv1hqz
title: BindingDB Entry 7559: 1-H-pyrrolo[2,3-b]pyridine derivatives

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2f76bf9
title: BindingDB Entry 8247: Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase

description: Small molecule binding data for protein B-RAF V600E, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Insulin-like growth factor I receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, RAF proto-oncogene serine/threonine-protein kinase (c-Raf)(Y340D)(Y341D), RAF serine/threonine protein kinase, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P00533, P04626, P08069, P09619, P11362, P12931, P15056, P16234, P21802, P35968, and P36888
DOI: 10.7270/q2ft8jsw
title: BindingDB Entry 6952: N-benzylindole modulators of PPARG

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2g73ckp
title: BindingDB Entry 8239: Sulfapyridine-like benzenesulfonamide derivatives as inhibitors of carbonic anhydrase isoenzymes I, II and VI.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 6 (CA-VI), Uniprot P00915, P00918, and P23280
DOI: 10.7270/q2k0734k
title: BindingDB Entry 8246: Synthesis and carbonic anhydrase inhibitory properties of novel coumarin derivatives.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2kk99j2
title: BindingDB Entry 6951: Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B), Uniprot P19643
DOI: 10.7270/q2nc600k
title: BindingDB Entry 7565: Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness.

description: Small molecule binding data for protein Multidrug resistance-associated protein 1 and P-glycoprotein 1, Uniprot P08183 and P33527