cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2r212vj
title: BindingDB Entry 50043841: Discovery and optimization of pyrimidone indoline amide PI3Kß inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers.

description: Small molecule binding data for protein Cytochrome P450 3A, DNA-dependent protein kinase, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A), Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide, Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, O00443, O00750, O75747, P08684, P42336, P42338, P42345, P48736, P78527, and Q8NEB9
DOI: 10.7270/q2v989f2
title: BindingDB Entry 50042772: Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2vd713x
title: BindingDB Entry 50044889: Ferrier sulfamidoglycosylation of glycals catalyzed by nitrosonium tetrafluoroborate: towards new carbonic anhydrase glycoinhibitors.

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/q2vt1tg7
title: BindingDB Entry 50043244: Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors.

description: Small molecule binding data for protein Calpain-1 and Papain, Uniprot P00784 and P35750
DOI: 10.7270/q2z039p4
title: BindingDB Entry 50044360: Identification of type II and III DDR2 inhibitors.

description: Small molecule binding data for protein Discoidin domain-containing receptor 2 and Epithelial discoidin domain-containing receptor 1, Uniprot Q08345 and Q16832
DOI: 10.7270/q21r6s5j
title: BindingDB Entry 50045354: Design, synthesis, and biological evaluation of (3R)-1,2,3,4-tetrahydro-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl]-3-isoquinolinecarboxamide (JDTic) analogues: in vitro pharmacology and ADME profile.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P35372, P41143, P41145, and Q12809
DOI: 10.7270/q22v2hhj
title: BindingDB Entry 50042778: Discovery and optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as novel selective and orally bioavailable discoidin domain receptor 1 (DDR1) inhibitors.

description: Small molecule binding data for protein Discoidin domain-containing receptor 2, Epithelial discoidin domain-containing receptor 1, and Tyrosine-protein kinase Kit (Kit), Uniprot P10721, Q08345, and Q16832
DOI: 10.7270/q23b61jv
title: BindingDB Entry 50043250: 1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases.

description: Small molecule binding data for protein Kallikrein 14, Kallikrein 5, Kallikrein 7, and Matriptase, Uniprot P49862, Q9P0G3, and Q9Y5Y6
DOI: 10.7270/q24j0gsg
title: BindingDB Entry 50045361: Synthesis and structure-activity relationships of novel, potent, orally active hypoxia-inducible factor-1 inhibitors.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot Q16665 and Q99814
DOI: 10.7270/q26m386t
title: BindingDB Entry 50042777: Biophysical fragment screening of theß1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Uniprot P08588
DOI: 10.7270/q28w3fsw
title: BindingDB Entry 50043860: Discovery of 8-cyclopentyl-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonitrile (7x) as a potent inhibitor of cyclin-dependent kinase 4 (CDK4) and AMPK-related kinase 5 (ARK5).

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6/G1/S-specific cyclin D1, Macrophage colony stimulating factor receptor, NUAK family SNF1-like kinase 1, PI3-kinase subunit delta, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase receptor FLT3, Uniprot O00329, O60285, P00519, P06493, P07333, P11802, P14635, P20248, P24385, P24864, P24941, P36888, P50613, P51946, and Q00534
DOI: 10.7270/q29888jp
title: BindingDB Entry 50044365: Design, synthesis and preliminary evaluation ofa-sulfonyl¿-(glycinyl-amino)proline peptidomimetics as matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein Aminopeptidase N and Collagenase, Uniprot P08253 and P15145
DOI: 10.7270/q2dz09vx
title: BindingDB Entry 50044364: The discovery of diazepinone-based 5-HT3 receptor partial agonists.

description: Small molecule binding data for protein 5-HT3A Serotonin Receptor, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Serotonin 3 (5-HT3) receptor, Uniprot P05177, P08684, P10635, P11712, P20813, P23979, P33261, and P46098
DOI: 10.7270/q2f76f5z
title: BindingDB Entry 50044900: Design and synthesis of novel 5-(3,4,5-trimethoxybenzoyl)-4-aminopyrimidine derivatives as potent and selective phosphodiesterase 5 inhibitors: scaffold hopping using a pseudo-ring by intramolecular hydrogen bond formation.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074 and O77746
DOI: 10.7270/q2hm59rz
title: BindingDB Entry 50042253: Array synthesis of progesterone receptor antagonists: 3-aryl-1,2-diazepines.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2hq41k2
title: BindingDB Entry 50045358: Synthesis of N-glycan units for assessment of substrate structural requirements of N-acetylglucosaminyltransferase III.

description: Small molecule binding data for protein N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3, Uniprot Q9Y2A9
DOI: 10.7270/q2j967wh
title: BindingDB Entry 50043858: Discovery of novel chiral diazepines as bombesin receptor subtype-3 (BRS-3) agonists with low brain penetration.

description: Small molecule binding data for protein BRS3 and Bombesin receptor subtype-3, Uniprot O54798 and P32247
DOI: 10.7270/q2jq12j6
title: BindingDB Entry 50044363: The discovery of potent and selective non-steroidal glucocorticoid receptor modulators, suitable for inhalation.

description: Small molecule binding data for protein Androgen Receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), Glucocorticoid, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P05177, P06401, P06536, P08235, P08684, P10275, P10635, P11712, P33261, and Q92731
DOI: 10.7270/q2js9rsb
title: BindingDB Entry 50042782: Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Cyclooxygenase-2 (COX-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437, P23219, P35354, and Q05769
DOI: 10.7270/q2k075w8
title: BindingDB Entry 50044899: Bioactive compounds from the insect Aspongopus chinensis.

description: Small molecule binding data for protein Cyclooxygenase-1 (COX-1), Uniprot P23219
DOI: 10.7270/q2kd20b8
title: BindingDB Entry 50043254: Discovery, synthesis, and structure-activity relationships of 2-aminoquinazoline derivatives as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1 and Metabotropic glutamate receptor 5, Uniprot P41594 and Q13255
DOI: 10.7270/q2nc62h4
title: BindingDB Entry 50042252: Role of Tyr(356(7.43)) and Ser(190(4.57)) in antagonist binding in the rat beta1-adrenergic receptor.

description: Small molecule binding data for protein Adrenergic receptor beta, Uniprot P18090
DOI: 10.7270/q2ng4s9d
title: BindingDB Entry 50045357: Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 4, Uniprot O95819
DOI: 10.7270/q2pg1t73
title: BindingDB Entry 50044362: Structure-based design and synthesis of bicyclic fused-pyridines as MEK inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Uniprot Q02750
DOI: 10.7270/q2pk0hhm
title: BindingDB Entry 50042781: SAR based design of nicotinamides as a novel class of androgen receptor antagonists for prostate cancer.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P19091
DOI: 10.7270/q2pr7xm9
title: BindingDB Entry 50044898: Homology modeling and explicit membrane molecular dynamics simulation to delineate the mode of binding of thiazolidinediones into FFAR1 and the mechanism of receptor activation.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2q52r15
title: BindingDB Entry 50043253: Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity.

description: Small molecule binding data for protein Glyceraldehyde-3-phosphate dehydrogenase, glycosomal, Uniprot P22513
DOI: 10.7270/q2s46t8x
title: BindingDB Entry 50042251: A chemical switch for the modulation of the functional activity of higher homologues of histamine on the human histamine H3 receptor: effect of various substitutions at the primary amino function.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q2s75j0p
title: BindingDB Entry 50045356: Pyridine-3-carboxamide-6-yl-ureas as novel inhibitors of bacterial DNA gyrase: structure based design, synthesis, SAR and antimicrobial activity.

description: Small molecule binding data for protein DNA Gyrase Subunit B, DNA Topoisomerase IV Subunit B, and DNA topoisomerase 4 subunit B (parE), Uniprot P0A0K8, P20083, and Q2FYS5
DOI: 10.7270/q2st7rb8
title: BindingDB Entry 50043856: Identification of a selective inhibitor of murine intestinal alkaline phosphatase (ML260) by concurrent ultra-high throughput screening against human and mouse isozymes.

description: Small molecule binding data for protein Alkaline phosphatase placental type, Alkaline phosphatase, placental-like, Alkaline phosphatase, tissue-nonspecific isozyme, and Intestinal alkaline phosphatase, Uniprot P05186, P05187, P09923, P24822, and P24823
DOI: 10.7270/q2t72jzd
title: BindingDB Entry 50044361: Synthesis and structure-activity relationship of dihydrobenzofuran derivatives as novel human GPR119 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Uniprot Q8TDV5
DOI: 10.7270/q2tb188s
title: BindingDB Entry 50042780: Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen.

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2th8p9k
title: BindingDB Entry 50044897: Discovery of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, ivacaftor), a potent and orally bioavailable CFTR potentiator.

description: Small molecule binding data for protein CFTR, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, and Cytochrome P450 3A, Uniprot P05177, P05181, P08684, P10635, P11712, P13569, and P33261
DOI: 10.7270/q2tt4sc9
title: BindingDB Entry 50043252: Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2ww7jzg
title: BindingDB Entry 50042250: Synthesis and SAR of substituted tetrahydrocarbazole derivatives as new NPY-1 antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q2x068q0
title: BindingDB Entry 50045355: Tricyclic pyrazoles part 7. Discovery of potent and selective dihydrothienocyclopentapyrazole derived CB2 ligands.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1 (CB1R), Uniprot P47746 and P47936
DOI: 10.7270/q2xk8h20
title: BindingDB Entry 50043855: Structure-activity relationships of N-substituted 4-(trifluoromethoxy)benzamidines with affinity for GluN2B-containing NMDA receptors.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot Q00960
DOI: 10.7270/q2z3211z
title: BindingDB Entry 50042779: Synthesis and structure-activity relationships of 5,6,7-substituted pyrazolopyrimidines: discovery of a novel TSPO PET ligand for cancer imaging.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q2z60qp1
title: BindingDB Entry 50044896: Synthetic derivatives of aromatic abietane diterpenoids and their biological activities.

description: Small molecule binding data for protein Androgen Receptor and Fibroblast growth factor receptor 1, Uniprot P10275 and P11362
DOI: 10.7270/q2zk5j2k
title: BindingDB Entry 50043251: Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 and TAK1/TAB1, Uniprot O43318 and Q15750
DOI: 10.7270/q20p11bs
title: BindingDB Entry 50042257: New fluorescent adenosine A1-receptor agonists that allow quantification of ligand-receptor interactions in microdomains of single living cells.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q20r9r32
title: BindingDB Entry 50045362: Modular assembly of purine-like bisphosphonates as inhibitors of HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q21c1zcm
title: BindingDB Entry 50043862: Inhibition of reverse transcriptase and Taq DNA polymerase by compounds possessing the coumarin framework.

description: Small molecule binding data for protein Taq polymerase 1, Uniprot P19821
DOI: 10.7270/q21r6s26
title: BindingDB Entry 50044367: Nitric oxide synthase inhibitors that interact with both heme propionate and tetrahydrobiopterin show high isoform selectivity.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, Nitric oxide synthase, brain, and Nitric-oxide synthase, brain, Uniprot P29473, P29475, P29476, and P29477
DOI: 10.7270/q21v5gbq
title: BindingDB Entry 50042786: Structural basis for inhibition of the fat mass and obesity associated protein (FTO).

description: Small molecule binding data for protein Alpha-ketoglutarate-dependent dioxygenase FTO, Uniprot Q9C0B1
DOI: 10.7270/q21z4611
title: BindingDB Entry 50044903: Thiophenes, polyacetylenes and terpenes from the aerial parts of Eclipata prostrate.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q24b32mb
title: BindingDB Entry 50042256: The discovery and optimization of pyrimidinone-containing MCH R1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2542q3b
title: BindingDB Entry 50043861: Design, synthesis, and SAR of a series of activated protein C (APC) inhibitors with selectivity against thrombin for the treatment of haemophilia.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Coagulation factor XI, and Vitamin K-dependent protein C, Uniprot P00742, P03951, and P04070
DOI: 10.7270/q25h7htz
title: BindingDB Entry 50044366: Identifying structural determinants of potency for analogs of apelin-13: integration of C-terminal truncation with structure-activity.

description: Small molecule binding data for protein apelin receptor, Uniprot P35414
DOI: 10.7270/q25m673w
title: BindingDB Entry 50042785: Potent proteasome inhibitors derived from the unnatural cis-cyclopropane isomer of Belactosin A: synthesis, biological activity, and mode of action.

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/q25q4xp2
title: BindingDB Entry 50044902: Carbonic anhydrase inhibitory activity of sulfonamides and carboxylic acids incorporating cyclic imide scaffolds.

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/q2639r4t
title: BindingDB Entry 50043257: Absolute configuration of acremoxanthone C, a potent calmodulin inhibitor from Purpureocillium lilacinum.

description: Small molecule binding data for protein Calmodulin, Uniprot P62157
DOI: 10.7270/q2833t97
title: BindingDB Entry 50042255: Novel benzimidazole-based MCH R1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2862j4b
title: BindingDB Entry 50045360: Synthesis and structure-activity relationships of PI3K/mTOR dual inhibitors from a series of 2-amino-4-methylpyrido[2,3-d]pyrimidine derivatives.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q29c6zsc
title: BindingDB Entry 50042784: 3-Hydroxypyridin-2-thione as novel zinc binding group for selective histone deacetylase inhibition.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q29g5pds
title: BindingDB Entry 50044901: Design, synthesis and molecular docking of substituted 3-hydrazinyl-3-oxo-propanamides as anti-tubercular agents.

description: Small molecule binding data for protein Serine/threonine-protein kinase pknB, Uniprot P9WI81
DOI: 10.7270/q29w0gwt
title: BindingDB Entry 50043256: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q2cv4k1n
title: BindingDB Entry 50042254: Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2cz38tw
title: BindingDB Entry 50045359: Synthesis, biological evaluation and molecular modeling study of 2-(1,3,4-thiadiazolyl-thio and 4-methyl-thiazolyl-thio)-quinazolin-4-ones as a new class of DHFR inhibitors.

description: Small molecule binding data for protein Dihydrofolate reductase (DHFR), Uniprot P00376
DOI: 10.7270/q2dn46hm
title: BindingDB Entry 50043859: Synthesis and assay of retro-a4ß1 integrin-targeting motifs.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, and P13612
DOI: 10.7270/q2f19135
title: BindingDB Entry 50042783: Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.

description: Small molecule binding data for protein 20S proteasome chymotrypsin-like, Proteasome Macropain subunit, Proteasome Macropain subunit PRE2, and Proteasome component C5, Uniprot P20618, P28074, P30656, and P49721
DOI: 10.7270/q2hd7x41
title: BindingDB Entry 50043866: Discovery of MK-7655, aß-lactamase inhibitor for combination with Primaxin®.

description: Small molecule binding data for protein Beta-lactamase, Uniprot Q8RLA6
DOI: 10.7270/q2ht2qv6
title: BindingDB Entry 50044371: Towards the development of 5-HT7 ligands combining serotonin-like and arylpiperazine moieties.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), Uniprot P34969
DOI: 10.7270/q2n29zf1
title: BindingDB Entry 50043865: Identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q2ns0wjc
title: BindingDB Entry 50044906: Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2r78gwb
title: BindingDB Entry 50045364: Sulfamates of methyl triterpenoates are effective and competitive inhibitors of carbonic anhydrase II.

description: Small molecule binding data for protein Carbonic anhydrase, Uniprot P00921
DOI: 10.7270/q2s75hvg
title: BindingDB Entry 50044369: Structure-activity relationships and colorimetric properties of specific probes for the putative cancer biomarker human arylamine N-acetyltransferase 1.

description: Small molecule binding data for protein Arylamine N-acetyltransferase 1 and Arylamine N-acetyltransferase 2, Uniprot P18440, P50293, and P50295
DOI: 10.7270/q2sb473z
title: BindingDB Entry 50042788: Monocarbonyl curcumin analogues: heterocyclic pleiotropic kinase inhibitors that mediate anticancer properties.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase Complex 1, AKT/p21CIP1, C-RAF, Dual specificity mitogen-activated protein kinase kinase 1, Inhibitor of NF-kappa-B kinase (IKK), MAP kinase ERK2, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Ribosomal protein S6 kinase (P70S6K), Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Nek1, and Vascular endothelial growth factor receptor 2, Uniprot O14920, P04049, P23443, P28482, P31749, P31751, P35968, P49137, P54619, Q02750, Q13131, Q16539, Q96PY6, and Q9Y478
DOI: 10.7270/q2sj1n83
title: BindingDB Entry 50044905: Synthesis and PGE2 production inhibition of s-triazine derivatives as a novel scaffold in RAW 264.7 macrophage cells.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2w097m2
title: BindingDB Entry 50045363: 2-Pyridyl thiazoles as novel anti-Trypanosoma cruzi agents: structural design, synthesis and pharmacological evaluation.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2wm1fw9
title: BindingDB Entry 50043863: Diphenylpyridylethanamine (DPPE)-based aminoheterocycles as cholesteryl ester transfer protein inhibitors.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11597, P11712, and P33261