cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q24q7wxm
title: BindingDB Entry 50047685: Design, synthesis and evaluation of novel indandione derivatives as multifunctional agents with cholinesterase inhibition, anti-ß-amyloid aggregation, antioxidant and neuroprotection properties against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Beta amyloid A4 protein, and Butyrylcholinesterase (BuChE), Uniprot O42275, P05067, and P81908
DOI: 10.7270/q24x59s3
title: BindingDB Entry 50048220: Further investigation of Paprotrain: Towards the conception of selective and multi-targeted CNS kinase inhibitors.

description: Small molecule binding data for protein CDC2-like kinase 3 (CLK3), Cyclin-Dependent Kinase 5 (CDK5), Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK4, Dual specificty protein kinase CLK1, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, and Dual-specificity tyrosine-regulated kinases 1B, Uniprot P49759, P49760, P49761, Q00535, Q13627, Q15078, Q9HAZ1, and Q9Y463
DOI: 10.7270/q28g8nnb
title: BindingDB Entry 50047684: Discovery of 4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)benzamides as novel, highly potent and selective, orally bioavailable inhibitors of Tyrosine Threonine Kinase, TTK.

description: Small molecule binding data for protein Aurora B/Incenp, Cytochrome P450 3A, Dual specificity protein kinase TTK, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase PLK4, Uniprot O00444, O14965, P08684, P33981, Q96GD4, and Q9NQS7
DOI: 10.7270/q28p62ht
title: BindingDB Entry 50048219: Phenyltetrazolyl-phenylamides: Substituent impact on modulation capability and selectivity toward the efflux protein ABCG2 and investigation of interaction with the transporter.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and P-glycoprotein 1, Uniprot P08183 and Q9UNQ0
DOI: 10.7270/q2bv7jhb
title: BindingDB Entry 50047179: 4,5-Diarylisoxazol-3-carboxylic acids: A new class of leukotriene biosynthesis inhibitors potentially targeting 5-lipoxygenase-activating protein (FLAP).

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917 and P20292
DOI: 10.7270/q2gm896m
title: BindingDB Entry 50047178: Sulfonamide inhibition studies of theß-carbonic anhydrase from the newly discovered bacterium Enterobacter sp. B13.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2mc91wg
title: BindingDB Entry 50047177: Inhibition of human DNA topoisomerase IIa by two novel ellipticine derivatives.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2r2138b
title: BindingDB Entry 50047176: Altered activity profile of a tertiary silanol analog of multi-targeting nuclear receptor modulator T0901317.

description: Small molecule binding data for protein Bile acid receptor FXR, Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, and Pregnane X receptor (PXR), Uniprot O75469, P35398, P51449, P55055, Q13133, Q6I9R9, Q92753, and Q96RI1
DOI: 10.7270/q2rf5wz4
title: BindingDB Entry 50047688: Doxifluridine-conjugated 2-5A analog shows strong RNase L activation ability and tumor suppressive effect.

description: Small molecule binding data for protein RNase L, Uniprot Q05823
DOI: 10.7270/q2rr218s
title: BindingDB Entry 50048223: Recent discovery of non-nucleobase thymidine phosphorylase inhibitors targeting cancer.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP), Uniprot P07650 and P19971
DOI: 10.7270/q2wh2s1k
title: BindingDB Entry 50048222: 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.

description: Small molecule binding data for protein NAD kinase and NAD kinase (NADK), Uniprot O95544 and Q5HH78
DOI: 10.7270/q23b6203
title: BindingDB Entry 50047181: Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1, BR serine/threonine-protein kinase 1, JAK2/TYK2, JAK3/JAK1, NUAK family SNF1-like kinase 1, Platelet-derived growth factor receptor, Serine/threonine-protein kinase SIK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot O60285, O60674, P16234, P23458, P29597, P36888, P52333, Q13131, Q8TDC3, and Q9H0K1
DOI: 10.7270/q241702r
title: BindingDB Entry 50048228: A benzo[b]thiophene-based selective type 4 S1P receptor agonist.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 3, and Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2736ssx
title: BindingDB Entry 50047180: Increasing the binding affinity of VEGFR-2 inhibitors by extending their hydrophobic interaction with the active site: Design, synthesis and biological evaluation of 1-substituted-4-(4-methoxybenzyl)phthalazine derivatives.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q27p91dw
title: BindingDB Entry 50048227: Structure-activity relationship study of a small cyclic peptide H-c[Lys-Pro-Glu]-Arg-OH: a potent inhibitor of Vascular Endothelial Growth Factor interaction with Neuropilin-1.

description: Small molecule binding data for protein Neuropilin-1, Uniprot Q9QWJ9
DOI: 10.7270/q2c82c8p
title: BindingDB Entry 50047691: Non-Substrate Based, Small Molecule Inhibitors of the Human Isoprenylcysteine Carboxyl Methyltransferase.

description: Small molecule binding data for protein Isoprenylcysteine carboxyl methyltransferase, Uniprot O60725
DOI: 10.7270/q2cf9s3s
title: BindingDB Entry 50048226: Structure-anticonvulsant activity studies in the group of (E)-N-cinnamoyl aminoalkanols derivatives monosubstituted in phenyl ring with 4-Cl, 4-CH

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptors; A2b & A3, Angiotensin II receptor, BDKRB2, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Calcitonin gene-related peptide type 1 receptor, Cannabinoid receptor 1/Mu-type opioid receptor, Cholecystokinin receptor, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine D2 receptor and serotonin 2a receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, EDNRA, EDNRB, GALR1, Galanin receptor 2, Glucocorticoid receptor, Histamine H1 receptor, Histamine H2 receptor, Kappa-type opioid receptor, Melanocortin receptor 4, Melatonin receptor, Monoamine transporters; Norepinephrine & dopamine, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nociceptin receptor, PPAR alpha/gamma, Peripheral-Type Benzodiazepine Receptor, Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid IP receptor, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent noradrenaline transporter, VIPR1, and Vasopressin V1a receptor (V1a), Uniprot O43603, P04150, P07550, P08172, P08173, P08588, P08908, P08912, P0DMS8, P11229, P14416, P16257, P20309, P21452, P21554, P21728, P21918, P23975, P24530, P25021, P25101, P25103, P25929, P28223, P28335, P28564, P29274, P29371, P30411, P30542, P30556, P30989, P31645, P32238, P32239, P32241, P32245, P34969, P35367, P35372, P35408, P35462, P37231, P37288, P41143, P41145, P41146, P41595, P43116, P43119, P46098, P47211, P47898, P48039, P49146, P50052, P50406, Q01959, and Q16602
DOI: 10.7270/q2h133zj
title: BindingDB Entry 50047690: 6-Oxooxazolidine-quinazolines as noncovalent inhibitors with the potential to target mutant forms of EGFR.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533, P04626, P21860, and Q15303
DOI: 10.7270/q2h70htn
title: BindingDB Entry 50048225: Biosynthetic approaches to creating bioactive fungal metabolites: Pathway engineering and activation of secondary metabolism.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2kd20tj
title: BindingDB Entry 50047185: Synthesis and evaluation of the cytotoxic activity of novel ethyl 4-[4-(4-substitutedpiperidin-1-yl)]benzyl-phenylpyrrolo[1,2-a]quinoxaline-carboxylate derivatives in myeloid and lymphoid leukemia cell lines.

description: Small molecule binding data for protein AKT/p21CIP1 and Serine/threonine-protein kinase AKT, Uniprot P31749, P31751, and Q9Y243
DOI: 10.7270/q2ms3vpk
title: BindingDB Entry 50047689: Discovery of a novel small molecule agonist scaffold for the APJ receptor.

description: Small molecule binding data for protein Neurotensin receptor 2 and apelin receptor, Uniprot P35414 and Q63384
DOI: 10.7270/q2q52rhf
title: BindingDB Entry 50047184: Synthesis of tetracyclic iminosugars fused benzo[e][1,3]thiazin-4-one and their HIV-RT inhibitory activity.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2tt4st4
title: BindingDB Entry 50047183: Synthesis and antiproliferative activity of 6,7-disubstituted-4-phenoxyquinoline derivatives bearing the 2-oxo-4-chloro-1,2-dihydroquinoline-3-carboxamide moiety.

description: Small molecule binding data for protein Epidermal growth factor receptor, Hepatocyte growth factor receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P08581, P09619, P10721, P35968, and P36888
DOI: 10.7270/q2w66npv
title: BindingDB Entry 50047687: Development of CNS multi-receptor ligands: Modification of known D2 pharmacophores.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Serotonin and norepinephrine transporters (SERT/NET), and Serotonin receptor (2b and 2c), Uniprot P08908, P14416, P21917, P28223, P28335, P31645, P34969, P35367, P35462, and P41595
DOI: 10.7270/q2zk5jhd
title: BindingDB Entry 50047182: Discovery of novel 2-phenyl-imidazo[1,2-a]pyridine analogues targeting tubulin polymerization as antiproliferative agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q200041q
title: BindingDB Entry 50047694: Development of Small Molecules that Specifically Inhibit the D-loop Activity of RAD51.

description: Small molecule binding data for protein DNA repair protein RAD51 homolog 1, Uniprot Q06609
DOI: 10.7270/q20867b1
title: BindingDB Entry 50048229: MARK inhibitors: Declaring a No-Go decision on a chemical series based on extensive DMPK experimentation.

description: Small molecule binding data for protein Serine/threonine-protein kinase c-TAK1, Uniprot P27448
DOI: 10.7270/q22b90wr
title: BindingDB Entry 50047189: Synthetic approaches to the 2014 new drugs.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Sodium/glucose cotransporter 2 (SGLT2), and Vascular endothelial growth factor receptor 2, Uniprot P31639, P35968, P37231, and Q07869
DOI: 10.7270/q2319xw4
title: BindingDB Entry 50048236: Bivalent SIRT1 inhibitors.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent deacetylase sirtuin 3, Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q23r0vt7
title: BindingDB Entry 50047693: Synthesis and Pharmacological Characterization of Novel Glucagon-like Peptide-2 (GLP-2) Analogues with Low Systemic Clearance.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor (GLP-1) and Glucagon-like peptide 2 receptor, Uniprot O95838, P43220, and Q9Z0W0
DOI: 10.7270/q2639rm3
title: BindingDB Entry 50047188: Identification of novel GLUT inhibitors.

description: Small molecule binding data for protein Glucose transporter, Solute carrier family 2, facilitated glucose transporter member 2, and Solute carrier family 2, facilitated glucose transporter member 3, Uniprot P11166, P11168, and P11169
DOI: 10.7270/q27h1mjz
title: BindingDB Entry 50047692: Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.

description: Small molecule binding data for protein Activin receptor type-1, Activin receptor type-2B, Bromodomain-containing protein 2, Bromodomain-containing protein 4, Bromodomain-containing protein 7, Bromodomain-containing protein 9, Cat eye syndrome critical region protein 2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and TGF-beta receptor type I, Uniprot O60885, P08684, P10632, P10635, P11712, P25440, P33261, P36897, Q04771, Q0P669 Q5FWH1 Q3UQU0 Q811F7, Q13705, Q9BXF3, Q9H8M2, and Q9NPI1
DOI: 10.7270/q29w0hch
title: BindingDB Entry 50047187: Amyloid cascade in Alzheimer's disease: Recent advances in medicinal chemistry.

description: Small molecule binding data for protein Acetylcholinesterase, Beta amyloid A4 protein, and Cholinesterase, Uniprot P05067, P06276, and P22303
DOI: 10.7270/q2fn1837
title: BindingDB Entry 50047186: Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2g73gqq
title: BindingDB Entry 50048233: Discovery of 4-sulfamoyl-phenyl-ß-lactams as a new class of potent carbonic anhydrase isoforms I, II, IV and VII inhibitors: The first example of subnanomolar CA IV inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 4, Carbonic anhydrase 7, and Carbonic anhydrases; II & IX, Uniprot P00915, P00918, P22748, and P43166
DOI: 10.7270/q2ks6tg9
title: BindingDB Entry 50047697: Discovery of a Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-ylamino)-pyrimidine Inhibitor of the Insulin-like Growth Factor-1 Receptor (IGF-1R).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, CDK8/Cyclin C, Cyclin-dependent kinase, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 9, Cytochrome P450 3A, Insulin-like growth factor I receptor, and MAP kinase ERK2, Uniprot P06493, P08069, P08684, P24941, P28482, P40989, P49336, P50613, and P50750
DOI: 10.7270/q2m047ff
title: BindingDB Entry 50048232: Anion inhibition profiles of the¿-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei responsible of melioidosis and highly drug resistant to common antibiotics.

description: Small molecule binding data for protein Carbonic anhydrase 2 and Gamma-carbonic anhydrase, Uniprot P00918 and P40881
DOI: 10.7270/q2qr504d
title: BindingDB Entry 50048231: Triazolopyridine ethers as potent, orally active mGlu

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 2C19, Metabotropic glutamate receptor 2 (mGluR2), and metabotropic glutamate 1c, Uniprot P33261, P40989, Q14416, and Q14832
DOI: 10.7270/q2sx6g3g
title: BindingDB Entry 50047191: Tetrahydroprotoberberine alkaloids with dopamine ands receptor affinity.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Sigma, Uniprot P14416, P21728, P35462, and Q99720
DOI: 10.7270/q2v69mjg
title: BindingDB Entry 50047695: Discovery of the Firsta-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Antagonist Dependent upon Transmembrane AMPA Receptor Regulatory Protein (TARP)¿-8.

description: Small molecule binding data for protein Cytochrome P450 1A and GRIA1, Uniprot P05177 and P42261
DOI: 10.7270/q2vh5qvb
title: BindingDB Entry 50048230: Synthesis and binding monitoring of a new nanomolar PAMAM-based matrix metalloproteinases inhibitor (MMPIs).

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), and Matrix metalloproteinase-7 (MMP7), Uniprot P03956, P08253, P09237, P14780, P39900, and P45452
DOI: 10.7270/q26t0pnj
title: BindingDB Entry 50048235: Design, synthesis and pharmacological evaluation of 4-hydroxyphenylglycine and 4-hydroxyphenylglycinol derivatives as GPR88 agonists.

description: Small molecule binding data for protein Probable G-protein coupled receptor 88, Uniprot Q9GZN0
DOI: 10.7270/q2bg2r0d
title: BindingDB Entry 50048234: Novel pyrazolo[1,5-a]pyridines with improved aqueous solubility as p110a-selective PI3 kinase inhibitors.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform and p110β/p85α, Uniprot O00329, P27986, and P42338
DOI: 10.7270/q2dn46x0
title: BindingDB Entry 50047194: Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group.

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor VII, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00740, P00742, P00747, P00749, P00750, P03951, P03952, P04070, P07477, P07478, P08709, and P35030
DOI: 10.7270/q2g162sq
title: BindingDB Entry 50047698: The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Receptor-interacting serine/threonine-protein kinase 2, Receptor-interacting serine/threonine-protein kinase 3, Serine/threonine-protein kinase RIPK2, and Vascular endothelial growth factor receptor 2, Uniprot O43353, P35968, Q16539, and Q9Y572
DOI: 10.7270/q2jd4zps
title: BindingDB Entry 50047193: Synthesis, identification, and biological activity of metabolites of two novel selective S1P1 agonists.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2p55qdh
title: BindingDB Entry 50047192: Inhibitory effect of flavonoids on human glutaminyl cyclase.

description: Small molecule binding data for protein Glutaminyl Cyclase, Uniprot Q16769
DOI: 10.7270/q2pr7xzs
title: BindingDB Entry 50048239: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, and Amine oxidase [flavin-containing] B, Uniprot O42275, P21397, and P27338
DOI: 10.7270/q2qj7k61
title: BindingDB Entry 50047696: Synthesis and Biological Evaluation of Vitamin D3 Metabolite 20S,23S-Dihydroxyvitamin D3 and Its 23R Epimer.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2th8pph
title: BindingDB Entry 50048238: Macrocyclic MEK1/2 inhibitor with efficacy in a mouse model of cardiomyopathy caused by lamin A/C gene mutation.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase; MEK1/2, Uniprot P36507 and Q02750
DOI: 10.7270/q2xk8hfx
title: BindingDB Entry 50047190: Synthesis, anti-inflammatory, analgesic, COX-1/2 inhibition activities and molecular docking study of pyrazoline derivatives.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2z89fd7
title: BindingDB Entry 50048237: Structure-guided development of covalent TAK1 inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, MAP kinase ERK2, and TAK1/TAB1, Uniprot O43318, P28482, and Q02750
DOI: 10.7270/q21c1zrj
title: BindingDB Entry 50047197: Potent multitarget FAAH-COX inhibitors: Design and structure-activity relationship studies.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cyclooxygenase, and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P35354, and P97612
DOI: 10.7270/q2222wsr
title: BindingDB Entry 50048244: Benzenesulfonamide bearing imidazothiadiazole and thiazolotriazole scaffolds as potent tumor associated human carbonic anhydrase IX and XII inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 9, and Carbonic anhydrases; II & IX, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q22r3tkh
title: BindingDB Entry 50047701: Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.

description: Small molecule binding data for protein Protein polybromo-1, SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2, isoform CRA_a, and Transcription activator BRG1, Uniprot P51531, P51532, and Q86U86
DOI: 10.7270/q2542qft
title: BindingDB Entry 50047196: Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-pyridine Carboxylate Derivatives.

description: Small molecule binding data for protein Egl nine homolog 3, Histone Lysine Demethylase, Lysine-specific demethylase 4A, Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 4D, Lysine-specific demethylase 5C, Lysine-specific demethylase 6B (KDM6B), and Solute carrier organic anion transporter family member 1B1 (OATP1B1), Uniprot B2RXH2, O15054, O75164, P41229, Q6B0I6, Q9H3R0, Q9H6Z9, and Q9Y6L6
DOI: 10.7270/q25t3nh5
title: BindingDB Entry 50048243: New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and 5-hydroxytryptamine receptor 1A, Uniprot P08908 and P34969
DOI: 10.7270/q26h4kbp
title: BindingDB Entry 50047700: Structure-based design and synthesis of small molecular inhibitors disturbing the interaction of MLL1-WDR5.

description: Small molecule binding data for protein WD repeat-containing protein 5 (WDR5), Uniprot P61964
DOI: 10.7270/q28w3g57
title: BindingDB Entry 50047195: Indole Based Weapons to Fight Antibiotic Resistance: A Structure-Activity Relationship Study.

description: Small molecule binding data for protein Quinolone resistance protein norA, Uniprot P0A0J7
DOI: 10.7270/q29k4d7w
title: BindingDB Entry 50048242: Development of new inhibitors for N-acylethanolamine-hydrolyzing acid amidase as promising tool against bladder cancer.

description: Small molecule binding data for protein N-acylsphingosine-amidohydrolase, Uniprot Q02083