cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2d21z1f
title: BindingDB Entry 50034204: Thiophene inhibitors of PDE4: crystal structures show a second binding mode at the catalytic domain of PDE4D2.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q2dr2vnj
title: BindingDB Entry 50031578: The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA(3) adenosine receptors antagonists: new insights into structure-affinity relationship and receptor-antagonist recognition.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2g44qmm
title: BindingDB Entry 50033345: Potent and selective phosphopeptide mimetic prodrugs targeted to the Src homology 2 (SH2) domain of signal transducer and activator of transcription 3.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2ht2prf
title: BindingDB Entry 50034203: Discovery of N-aryl-2-acylindole human glucagon receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Gastric inhibitory polypeptide receptor, Glucagon receptor, Glucagon-like peptide 1 receptor (GLP-1), and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, P43220, P47871, P48546, and Q12809
DOI: 10.7270/q2jw8f73
title: BindingDB Entry 50033352: Structural requirements of flavonoids for the adipogenesis of 3T3-L1 cells.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37238
DOI: 10.7270/q2mg7pqc
title: BindingDB Entry 50032523: Rational design, synthesis, and evaluation of new selective inhibitors of microbial class II (zinc dependent) fructose bis-phosphate aldolases.

description: Small molecule binding data for protein Fructose-1,6-bisphosphate aldolase (FBA), Fructose-bisphosphate aldolase, Fructose-bisphosphate aldolase A, and Fructose-bisphosphate aldolase class II, Uniprot P00883, P56109, P9WQA3, and Q9URB4
DOI: 10.7270/q2n879xr
title: BindingDB Entry 50031586: Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2) and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and Q9UGN5
DOI: 10.7270/q2ng4qvr
title: BindingDB Entry 50032515: Synthesis, biological assay in vitro and molecular docking studies of new imidazopyrazinone derivatives as potential dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2nk3ffq
title: BindingDB Entry 50034202: Discovery of new aminopyrimidine-based phosphoinositide 3-kinase beta (PI3Kß) inhibitors with selectivity over PI3Ka.

description: Small molecule binding data for protein PI3-kinase subunit alpha and PI3-kinase subunit beta, Uniprot P42336 and P42338
DOI: 10.7270/q2qj7hn1
title: BindingDB Entry 50033343: Synthesis and biological evaluation of novel 4-benzylpiperazine ligands for sigma-1 receptor imaging.

description: Small molecule binding data for protein Anti-estrogen binding site (AEBS) and OPIATE Sigma, Uniprot Q15125 and Q9R0C9
DOI: 10.7270/q2r78ff3
title: BindingDB Entry 50032522: Structure-based optimization and biological evaluation of human 20a-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member C1 and Aldo-keto reductase family 1 member C2, Uniprot P52895 and Q04828
DOI: 10.7270/q2s182ng
title: BindingDB Entry 50031585: Design, synthesis and evaluation of novel 2-thiophen-5-yl-3H-quinazolin-4-one analogues as inhibitors of transcription factors NF-kappaB and AP-1 mediated transcriptional activation: Their possible utilization as anti-inflammatory and anti-cancer agents.

description: Small molecule binding data for protein Transcription factor AP-1, Uniprot P05412
DOI: 10.7270/q2s75grq
title: BindingDB Entry 50034201: Synthesis and SAR of a novel metabotropic glutamate receptor 4 (mGlu4) antagonist: unexpected 'molecular switch' from a closely related mGlu4 positive allosteric modulator.

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 4 (mGluR4), Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08173, P11229, P31423, and Q14833
DOI: 10.7270/q2t153sv
title: BindingDB Entry 50031574: Discovery of triarylethanolamine inhibitors of the Kv1.5 potassium channel.

description: Small molecule binding data for protein Voltage-gated potassium channel and Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460 and Q12809
DOI: 10.7270/q2tb177x
title: BindingDB Entry 50033350: Discovery of pyrimidine carboxamides as potent and selective CCK1 receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 2, Cholecystokinin receptor, Cytochrome c oxidase subunit 1, and Voltage-gated potassium channel beta subunit Mink, Uniprot O08786, P00395, P15382, P32238, P32239, and P34972
DOI: 10.7270/q2w0965t
title: BindingDB Entry 50032521: Positive allosteric modulators of thea-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor.

description: Small molecule binding data for protein GRIA1, GRIA2, Glutamate receptor ionotropic AMPA, and Glutamate receptor ionotropic, AMPA 4, Uniprot P19493, P42261, P42262, P42263, and P48058
DOI: 10.7270/q2ws8tdz
title: BindingDB Entry 50031584: Discovery of a new series of Aurora inhibitors through truncation of GSK1070916.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Uniprot Q96GD4
DOI: 10.7270/q2x067f0
title: BindingDB Entry 50034200: Synthesis and structure-activity relationship (SAR) of (5,7-disubstituted 3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methylamines as potent serotonin 5-HT(6) receptor (5-HT(6)R) antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2z31zzv
title: BindingDB Entry 50033349: Inhibitor selectivity of a new class of oseltamivir analogs against viral neuraminidase over human neuraminidase enzymes.

description: Small molecule binding data for protein Sialidase 3 and Sialidase 4, Uniprot Q8WWR8 and Q9UQ49
DOI: 10.7270/q20k28rd
title: BindingDB Entry 50031591: Hybrid ortho/allosteric ligands for the adenosine A(1) receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q21v5f9v
title: BindingDB Entry 50033356: Development of amidine-based sphingosine kinase 1 nanomolar inhibitors and reduction of sphingosine 1-phosphate in human leukemia cells.

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1), Sphingosine kinase 2 (SPHK2), and Sphingosine kinase types 2 (SphK2), Uniprot Q9JIA7, Q9NRA0, and Q9NYA1
DOI: 10.7270/q23j3d79
title: BindingDB Entry 50032529: Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase Nek1, Serine/threonine-protein kinase Nek2, and Serine/threonine-protein kinase PLK1, Uniprot O14757, P51955, P53350, and Q96PY6
DOI: 10.7270/q23j3dc3
title: BindingDB Entry 50034214: Resorcinol-sn-glycerol derivatives: novel 2-arachidonoylglycerol mimetics endowed with high affinity and selectivity for cannabinoid type 1 receptor.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 1 (CB1R), and Cannabinoid receptor 2, Uniprot P21554, P34972, and P47746
DOI: 10.7270/q24b31hk
title: BindingDB Entry 50031590: Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein and Serine/threonine-protein kinase Aurora, Uniprot O14965 and Q96GD4
DOI: 10.7270/q24j0fhg
title: BindingDB Entry 50034206: Synthesis of 6-(het) ary Xylocydine analogues and evaluating their inhibitory activities of CDK1 and CDK2 in vitro.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 2 (CDK2), Uniprot P06493, P14635, P20248, and P24941
DOI: 10.7270/q25m661k
title: BindingDB Entry 50033355: N-(3-fluoro-4-(4-(2-methoxy or 2,3-dichlorophenyl)piperazine-1-yl)butyl)arylcarboxamides as selective dopamine D3 receptor ligands: critical role of the carboxamide linker for D3 receptor selectivity.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08908, P14416, P21917, P28223, and P35462
DOI: 10.7270/q26973t7
title: BindingDB Entry 50032536: Anticonvulsant activity of 2,4(1H)-diarylimidazoles in mice and rats acute seizure models.

description: Small molecule binding data for protein Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), Uniprot Q99250
DOI: 10.7270/q279453t
title: BindingDB Entry 50034213: Design, synthesis, and qualitative structure-activity evaluations of novelß-secretase inhibitors as potential Alzheimer's drug leads.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2833s6g
title: BindingDB Entry 50031589: The effect of the pyridyl nitrogen position in pyridylpiperazine sigma ligands.

description: Small molecule binding data for protein OPIATE Sigma, Uniprot Q9R0C9
DOI: 10.7270/q29c6xrh
title: BindingDB Entry 50033354: Potent, selective, and orally bioavailable inhibitors of mammalian target of rapamycin (mTOR) kinase based on a quaternary substituted dihydrofuropyrimidine.

description: Small molecule binding data for protein Serine/threonine-protein kinase mTOR, Uniprot P42345
DOI: 10.7270/q2bz668q
title: BindingDB Entry 50032527: Design, synthesis and bioevaluation of dihydropyrazolo[3,4-b]pyridine and benzo[4,5]imidazo[1,2-a]pyrimidine compounds as dual KSP and Aurora-A kinase inhibitors for anti-cancer agents.

description: Small molecule binding data for protein Kinesin-like protein 1 and Serine/threonine-protein kinase Aurora, Uniprot O14965 and P52732
DOI: 10.7270/q2c24wv6
title: BindingDB Entry 50034212: Synthesis and biological profile of new 1,2,3,4-tetrahydroisoquinolines as selective carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, Q16790, and Q9ULX7
DOI: 10.7270/q2cv4hw1
title: BindingDB Entry 50031588: 2-MeS-beta,gamma-CCl2-ATP is a potent agent for reducing intraocular pressure.

description: Small molecule binding data for protein P2Y purinoceptor 1, Uniprot P49652
DOI: 10.7270/q2f47pg7
title: BindingDB Entry 50033353: Red-fluorescent argininamide-type NPY Y1 receptor antagonists as pharmacological tools.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 5 ( NPY Y5), and PPYR1, Uniprot P25929, P49146, P50391, and Q15761
DOI: 10.7270/q2gq6xz6
title: BindingDB Entry 50032526: 5-Piperazinyl-3-sulfonylindazoles as potent and selective 5-hydroxytryptamine-6 antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Alpha-2A adrenergic receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin receptor (2b and 2c), Uniprot P08908, P08913, P14416, P28221, P28222, P28335, P34969, P41595, and P50406
DOI: 10.7270/q2gt5nm2
title: BindingDB Entry 50034211: 2,7-Pyrrolo[2,1-f][1,2,4]triazines as JAK2 inhibitors: modification of target structure to minimize reactive metabolite formation.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and Tyrosine-protein kinase JAK2, Uniprot O60674 and Q9UM73
DOI: 10.7270/q2hh6k7w
title: BindingDB Entry 50031587: Removal of sphingosine 1-phosphate receptor-3 (S1P(3)) agonism is essential, but inadequate to obtain immunomodulating 2-aminopropane-1,3-diol S1P(1) agonists with reduced effect on heart rate.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2kh0nkj
title: BindingDB Entry 50032533: First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, NADPH oxidase 1, NADPH oxidase 2 (NOX2), NADPH oxidase 4, and Xanthine oxidase, Uniprot P04839, P05177, P08684, P10632, P10635, P11712, P33261, P47989, Q9NPH5, and Q9Y5S8
DOI: 10.7270/q2m908vt
title: BindingDB Entry 50031594: Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Casein kinase I isoform delta, Cyclin-Dependent Kinase 5 (CDK5), Cyclin-dependent kinase 1, Death-associated protein kinase 3, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Insulin receptor, Insulin-like growth factor I receptor, JAK2/TYK2, JAK3/JAK1, MAP kinase ERK2, MAP kinase-activated protein kinase 3, Macrophage colony stimulating factor receptor, Mitogen-activated protein kinase 13 (MAPK13), Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, PAK1, Protein kinase C delta type, Protein kinase C, eta, Protein kinase C, gamma, Receptor tyrosine-protein kinase erbB-4 (HER4), Rho-associated protein kinase, SRC, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase D2 (PKD2), Serine/threonine-protein kinase MRCK alpha, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK3, Serine/threonine-protein kinase Sgk1, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and p38 delta/gamma, Uniprot O00141, O14757, O14965, O15264, O43293, O60674, O75116, O96013, O96017, P00533, P04626, P04629, P05129, P06213, P06239, P06241, P06493, P07333, P07948, P08069, P10721, P11309, P12931, P24723, P28482, P29317, P29597, P31751, P35916, P35968, P48730, P49840, P49841, P51451, P51955, P52333, P53350, P53778, Q00535, Q05655, Q08881, Q13153, Q13188, Q13464, Q13627, Q15303, Q16620, Q16644, Q5VT25, Q96GD4, Q9BZL6, Q9H4B4, Q9P1W9, and Q9Y243
DOI: 10.7270/q2mk6dbs
title: BindingDB Entry 50034210: Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor VII, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasminogen, Prothrombin, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00742, P00747, P00749, P00750, P03951, P04070, and P08709
DOI: 10.7270/q2np24s4
title: BindingDB Entry 50033359: The identification of 4,7-disubstituted naphthoic acid derivatives as UDP-competitive antagonists of P2Y14.

description: Small molecule binding data for protein P2Y purinoceptor 14, Uniprot Q9ESG6
DOI: 10.7270/q2pn95zd
title: BindingDB Entry 50033351: In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.

description: Small molecule binding data for protein CDK2/CycE, Ephrin receptor, Epidermal growth factor receptor, Fibroblast growth factor receptor 3, Insulin receptor, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Muscle, skeletal receptor tyrosine protein kinase, Neurotrophic tyrosine kinase receptor, PTK2B protein tyrosine kinase 2 beta (PTK2B), SRC, and Tyrosine-protein kinase JAK2, Uniprot O15146, O60674, P00533, P04629, P06213, P06239, P07949, P22607, P24864, P24941, P29323, P52333, and Q14289
DOI: 10.7270/q2q81d98
title: BindingDB Entry 50032532: Halogenation of 4-hydroxy/amino-3-methoxyphenyl acetamide TRPV1 agonists showed enhanced antagonism to capsaicin.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2qc03x8
title: BindingDB Entry 50034217: Targeting the binding function 3 (BF3) site of the human androgen receptor through virtual screening.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2r211j3
title: BindingDB Entry 50031593: Curcumin derivatives inhibit testicular 17beta-hydroxysteroid dehydrogenase 3.

description: Small molecule binding data for protein 17-beta-hydroxysteroid dehydrogenase type 3 and Testosterone 17-beta-dehydrogenase 3, Uniprot O54939 and P37058
DOI: 10.7270/q2rb7512
title: BindingDB Entry 50034209: Pyrrolamide DNA gyrase inhibitors: optimization of antibacterial activity and efficacy.

description: Small molecule binding data for protein DNA Gyrase Subunit B, Uniprot P0A0K8
DOI: 10.7270/q2sf2whg
title: BindingDB Entry 50033358: Synthesis and biological evaluation of novel quinazoline-derived human Pin1 inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2v12510
title: BindingDB Entry 50032531: Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as selective human A(1) adenosine receptor ligands.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P0DMS8, P28190, P29274, P29275, P30542, and Q0VC81
DOI: 10.7270/q2vt1s84
title: BindingDB Entry 50031592: Amide-based inhibitors of p38alpha MAP kinase. Part 1: discovery of novel N-pyridyl amide lead molecules.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2w096b2
title: BindingDB Entry 50034208: Evaluation of 18F-labeled benzodioxine piperazine-based dopamine D4 receptor ligands: lipophilicity as a determinate of nonspecific binding.

description: Small molecule binding data for protein 5-HT2, Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P30729, P35462, P50129, and P50130
DOI: 10.7270/q2x63n8n
title: BindingDB Entry 50033357: N-Alkenyl and cycloalkyl carbamates as dual acting histamine H3 and H4 receptor ligands.

description: Small molecule binding data for protein HRH3, Histamine H1 receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P31389, Q9H3N8, Q9JI35, and Q9Y5N1
DOI: 10.7270/q2zs2wrm
title: BindingDB Entry 50032530: A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity.

description: Small molecule binding data for protein Aldehyde reductase and Aldose reductase, Uniprot P07943, P14550, and P51635
DOI: 10.7270/q2zs2wz9
title: BindingDB Entry 50034215: Cucurbitane glucosides from the root of Machilus yaoshansis.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q20z73ks
title: BindingDB Entry 50033364: Synthesis and Biological Evaluation of Muraymycin Analogues Active against Anti-Drug-Resistant Bacteria.

description: Small molecule binding data for protein Phospho-N-acetylmuramoyl-pentapeptide-transferase, Uniprot Q03521
DOI: 10.7270/q22j6c3x
title: BindingDB Entry 50032537: Molecular modeling study on potent and selective adenosine A(3) 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/q22j6c9m
title: BindingDB Entry 50034222: The discovery of novel cyclohexylamide CCR2 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950 and P41597
DOI: 10.7270/q23b6099
title: BindingDB Entry 50031598: Discovery of novel N-acylsulfonamide analogs as potent and selective EP3 receptor antagonists.

description: Small molecule binding data for protein Prostanoid EP1 Receptor, Prostanoid EP2 Receptor, Prostanoid EP3 Receptor, and Prostanoid EP4 Receptor, Uniprot P30557, P32240, P35375, and Q62053
DOI: 10.7270/q24m94ws
title: BindingDB Entry 50033363: Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), and Leukotriene A4 hydrolase, Uniprot P09960, P23219, and P35354
DOI: 10.7270/q269740w
title: BindingDB Entry 50034221: 5-Lipoxygenase-activating protein (FLAP) inhibitors. Part 4: development of 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxypyridin-3-yl)benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionic acid (AM803), a potent, oral, once daily FLAP inhibitor.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Arachidonate 5-lipoxygenase-activating protein, Cyclooxygenase, Cyclooxygenase-1 (COX-1), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Leukotriene A4 hydrolase, and Leukotriene C4 synthase, Uniprot P05177, P08684, P09917, P09960, P10635, P11712, P20291, P20292, P23219, P33261, P35354, and Q16873
DOI: 10.7270/q2736r3j
title: BindingDB Entry 50031597: The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT(7)R antagonists.

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/q28c9wkp
title: BindingDB Entry 50033362: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia.

description: Small molecule binding data for protein Mannose-6-phosphate isomerase and phosphomannomutase 2, Uniprot O15305 and P34949
DOI: 10.7270/q2930tdr
title: BindingDB Entry 50032544: Synthesis, biological evaluation, and molecular docking studies of 2-chloropyridine derivatives possessing 1,3,4-oxadiazole moiety as potential antitumor agents.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2b27vh4
title: BindingDB Entry 50032535: 4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275