cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27p8zf4
title: BindingDB Entry 50030727: Structure-activity relationship of isoform selective inhibitors of Rac1/1b GTPase nucleotide binding.

description: Small molecule binding data for protein Cell division control protein 42 homolog and Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1, Uniprot P60953 and P63000
DOI: 10.7270/q2b8580p
title: BindingDB Entry 50028545: Synthesis of new serotonin 5-HT7 receptor ligands. Determinants of 5-HT7/5-HT1A receptor selectivity.

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/q2bp02r9
title: BindingDB Entry 50029702: TBA

description: Small molecule binding data for protein DOPAMINE, Delta-type opioid receptor, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Kappa-type opioid receptor, and Mu opioid receptor, Uniprot P18901, P41143, P41145, P61169, and P79350
DOI: 10.7270/q2c8296z
title: BindingDB Entry 50028524: N6-Cycloalkyl- and N6-bicycloalkyl-C5'(C2')-modified adenosine derivatives as high-affinity and selective agonists at the human A1 adenosine receptor with antinociceptive effects in mice.

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/q2cf9q4d
title: BindingDB Entry 50030726: Structure-activity studies on seco-pancratistatin analogs: potent inhibitors of human cytochrome P450 3A4.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2cn73qw
title: BindingDB Entry 50026681: Fluorinated phenylcyclopropylamines. Part 5: Effects of electron-withdrawing or -donating aryl substituents on the inhibition of monoamine oxidases A and B by 2-aryl-2-fluoro-cyclopropylamines.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Vascular adhesion protein 1 (VAP-1), Uniprot O08590, P21397, and P27338
DOI: 10.7270/q2h131x8
title: BindingDB Entry 50028523: Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M2, Uniprot P08172, P11229, and P20309
DOI: 10.7270/q2h70fv8
title: BindingDB Entry 50030725: Structure-activity relationships of the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ol series of monoamine reuptake inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent noradrenaline transporter, Uniprot P23975 and P31645
DOI: 10.7270/q2hd7vf7
title: BindingDB Entry 50026677: Synthesis of 6- or 4-functionalized indoles via a reductive cyclization approach and evaluation as aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2k35tmt
title: BindingDB Entry 50029715: TBA

description: Small molecule binding data for protein Endothelin receptor, ET-A/ET-B, Uniprot P24530 and P25101
DOI: 10.7270/q2m045hh
title: BindingDB Entry 50030732: Structure-affinity relationships of glutamine mimics incorporated into phosphopeptides targeted to the 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/q2m32vqr
title: BindingDB Entry 50029700: TBA

description: Small molecule binding data for protein Alpha-L-fucosidase I, Alpha-glucosidase A (α-Gal A), Beta-galactosidase, Glucocerebrosidase (Acid beta-Glucosidase), and Lysosomal alpha-glucosidase, Uniprot P04062, P04066, P06280, P10253, and P29853
DOI: 10.7270/q2n016k0
title: BindingDB Entry 50030724: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides.

description: Small molecule binding data for protein RNA polymerase (NS5B), Uniprot Q9WMX2
DOI: 10.7270/q2n29wsp
title: BindingDB Entry 50026675: Design of Helicobacter pylori glutamate racemase inhibitors as selective antibacterial agents: a novel pro-drug approach to increase exposure.

description: Small molecule binding data for protein Glutamate racemase, Uniprot P56068
DOI: 10.7270/q2pv6k9s
title: BindingDB Entry 50029714: TBA

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2qj7h66
title: BindingDB Entry 50028537: Design and synthesis of 2-amino-4-methylpyridine analogues as inhibitors for inducible nitric oxide synthase and in vivo evaluation of [18F]6-(2-fluoropropyl)-4-methyl-pyridin-2-amine as a potential PET tracer for inducible nitric oxide synthase.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, inducible, and Nitric-oxide synthase (endothelial and brain), Uniprot P29475 and P35228
DOI: 10.7270/q2qr4x63
title: BindingDB Entry 50030731: Discovery and structure-activity relationships of a novel class of quinazoline glucokinase activators.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2rj4jdg
title: BindingDB Entry 50028516: Discovery of novel tricyclic full agonists for the G-protein-coupled niacin receptor 109A with minimized flushing in rats.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 2C9, and Hydroxycarboxylic acid receptor 2, Uniprot P10632, P11712, Q80Z39, and Q8TDS4
DOI: 10.7270/q2rv0nhn
title: BindingDB Entry 50026673: Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Neurokinin 1 receptor, and Sodium channel protein type II alpha subunit, Uniprot P04775, P10635, and P25103
DOI: 10.7270/q2tm7b2z
title: BindingDB Entry 50029712: TBA

description: Small molecule binding data for protein Thrombin and coagulation factor VII, Uniprot P00734
DOI: 10.7270/q2v9880t
title: BindingDB Entry 50028533: Structure-based virtual screening of Src kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P12931, and P35968
DOI: 10.7270/q2vh5nxd
title: BindingDB Entry 50030730: Synthesis of organophosphates with fluorine-containing leaving groups as serine esterase inhibitors with potential for Alzheimer disease therapeutics.

description: Small molecule binding data for protein Carboxylesterase, Uniprot Q29550
DOI: 10.7270/q2wm1d7c
title: BindingDB Entry 50026672: Muscarinic receptor 1 agonist activity of novel N-arylthioureas substituted 3-morpholino arecoline derivatives in Alzheimer's presenile dementia models.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482
DOI: 10.7270/q2zc82tq
title: BindingDB Entry 50029709: TBA

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) and Squalene synthetase, Uniprot P29702, P49355, and Q02769
DOI: 10.7270/q20c4vkw
title: BindingDB Entry 50026687: Epiboxidine and novel-related analogues: a convenient synthetic approach and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor subunit alpha-4, Uniprot P09483, P43681, and Q05941
DOI: 10.7270/q2251j56
title: BindingDB Entry 50029719: TBA

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot O08786, P32239, and P56481
DOI: 10.7270/q22v2g0d
title: BindingDB Entry 50028552: Synthesis and structure-activity relationship of novel diarylpyrazole imide analogues as CB1 cannabinoid receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272
DOI: 10.7270/q2319vz6
title: BindingDB Entry 50030737: Identification of N-(5-tert-butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea dihydrochloride (AC220), a uniquely potent, selective, and efficacious FMS-like tyrosine kinase-3 (FLT3) inhibitor.

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P07333, P07949, P09619, P10721, P16234, P17948, P35916, P35968, P36888, and Q08345
DOI: 10.7270/q2348k57
title: BindingDB Entry 50026703: Design, synthesis and biological evaluation of new tryptamine and tetrahydro-beta-carboline-based selective inhibitors of CDK4.

description: Small molecule binding data for protein Cyclin-dependent kinase 2 and Cyclin-dependent kinase 4, Uniprot P11802 and P24941
DOI: 10.7270/q2445m9m
title: BindingDB Entry 50026683: Oxadiazole-carbonylaminothioureas as SIRT1 and SIRT2 inhibitors.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q25x28xn
title: BindingDB Entry 50029718: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q26h4h9d
title: BindingDB Entry 50028548: Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors.

description: Small molecule binding data for protein AMPK subunit alpha-2, Cyclin-dependent kinase 2, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity mitogen-activated protein kinase kinase 6, Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, Protein kinase C theta type, Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), Ribosomal protein S6 kinase (P70S6K), Voltage-gated potassium channel, c-Jun N-terminal kinase, JNK, and p38 delta/gamma, Uniprot O14733, O14920, O15264, P06213, P23443, P24941, P45983, P45984, P45985, P49137, P49841, P52564, P53778, P53779, P54646, Q02750, Q04759, Q12809, Q15118, and Q16539
DOI: 10.7270/q26t0mp5
title: BindingDB Entry 50030735: 2-Phenylpyrazolo[4,3-d]pyrimidin-7-one as a new scaffold to obtain potent and selective human A3 adenosine receptor antagonists: new insights into the 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/q26w99w7
title: BindingDB Entry 50026701: Allosteric FBPase inhibitors gain 10(5) times in potency when simultaneously binding two neighboring AMP sites.

description: Small molecule binding data for protein Fructose-1,6-bisphosphatase 1 (FBPase), Uniprot P09467
DOI: 10.7270/q27w6c11
title: BindingDB Entry 50026682: Use of the nitrile oxide cycloaddition (NOC) reaction for molecular probe generation: a new class of enzyme selective histone deacetylase inhibitors (HDACIs) showing picomolar activity at HDAC6.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q29p31nc
title: BindingDB Entry 50029717: TBA

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2bg2p3x
title: BindingDB Entry 50030734: Identification of novel indanylsulfonamide guanylhydrazones as potent 5-HT6 serotonin receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 1A, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P08908, P28335, P31645, and P50406
DOI: 10.7270/q2bp02mh
title: BindingDB Entry 50026698: False positives in a reporter gene assay: identification and synthesis of substituted N-pyridin-2-ylbenzamides as competitive inhibitors of firefly luciferase.

description: Small molecule binding data for protein Luciferase, Uniprot Q01158
DOI: 10.7270/q2df6r6w
title: BindingDB Entry 50029728: TBA

description: Small molecule binding data for protein 5-Lipoxygenase/5-lipoxygenase activating protein and Arachidonate 5-lipoxygenase, Uniprot P09917, P12527, and P20292
DOI: 10.7270/q2f76cnd
title: BindingDB Entry 50030743: Radiolabeled 5-iodo-3'-O-(17beta-succinyl-5alpha-androstan-3-one)-2'-deoxyuridine and its 5'-monophosphate for imaging and therapy of androgen receptor-positive cancers: synthesis and biological evaluation.

description: Small molecule binding data for protein Testis-specific androgen-binding protein, Uniprot P04278
DOI: 10.7270/q2ff3sb8
title: BindingDB Entry 50029716: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2g160q0
title: BindingDB Entry 50028539: 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.

description: Small molecule binding data for protein Cathepsin D, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Renin, Uniprot P00797, P05177, P07339, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2g73dss
title: BindingDB Entry 50030733: Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.

description: Small molecule binding data for protein D-alanyl-D-alanine carboxypeptidase and Penicillin-binding protein 2x, Uniprot P14677 and P39045
DOI: 10.7270/q2gf0tbv
title: BindingDB Entry 50026695: Correlation of inhibitor effects on enzyme activity and thermal stability for the integral membrane protein fatty acid amide hydrolase.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q2j67gwr
title: BindingDB Entry 50029727: TBA

description: Small molecule binding data for protein Calpain1/2, Uniprot P07384
DOI: 10.7270/q2js9q9n
title: BindingDB Entry 50028558: (+/-)-Nantenine analogs as antagonists at human 5-HT(2A) receptors: C1 and flexible congeners.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Uniprot P28223
DOI: 10.7270/q2k074bp
title: BindingDB Entry 50030742: Structure-guided development of selective TbcatB inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin L1, and Rhodesain, Uniprot P07711 and P07858
DOI: 10.7270/q2ks6rf1
title: BindingDB Entry 50028538: Harnessing nature's insight: design of aspartyl protease inhibitors from treatment of drug-resistant HIV to Alzheimer's disease.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), and Cathepsin D, Uniprot P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2m61k2k
title: BindingDB Entry 50026694: 3-(4-(6-Fluoroalkoxy-3,4-dihydroisoquinoline-2(1H)-yl)cyclohexyl)-1H-indole-5-carbonitriles for SERT imaging: chemical synthesis, evaluation in vitro and radiofluorination.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P19327, P23975, P31645, and Q01959
DOI: 10.7270/q2pk0g1x
title: BindingDB Entry 50028555: Pyridopyrimidine based cannabinoid-1 receptor inverse agonists: Synthesis and biological evaluation.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2qv3mbt
title: BindingDB Entry 50026690: Synthesis and evaluation of acylguanidine FXa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2sn08xq
title: BindingDB Entry 50029723: TBA

description: Small molecule binding data for protein Angiotensin II AT1B, Uniprot P29089
DOI: 10.7270/q2tb16sp
title: BindingDB Entry 50028554: Hair growth stimulator property of thienyl substituted pyrazole carboxamide derivatives as a CB1 receptor antagonist with in vivo antiobesity effect.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2th8ms1
title: BindingDB Entry 50030740: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis.

description: Small molecule binding data for protein Glutathione reductase (GR), Thioredoxin glutathione reductase, and Thioredoxin reductase 1, cytoplasmic, Uniprot O89049 and P00390
DOI: 10.7270/q2vm4c2j
title: BindingDB Entry 50026689: Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2xd11nf
title: BindingDB Entry 50029720: TBA

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot O08786, P32239, and P56481
DOI: 10.7270/q2z31zjg
title: BindingDB Entry 50028553: Discovery of dual inhibitors targeting both HIV-1 capsid and human cyclophilin A to inhibit the assembly and uncoating of the viral capsid.

description: Small molecule binding data for protein Cyclophilin A, Uniprot P62937
DOI: 10.7270/q2z89chr
title: BindingDB Entry 50030739: Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, and Renin, Uniprot P00797, P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2154h0c
title: BindingDB Entry 50029732: TBA

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q21v5dw2
title: BindingDB Entry 50028573: Synthesis and in vitro affinities of various MDL 100907 derivatives as potential 18F-radioligands for 5-HT2A receptor imaging with PET.

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, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Beta-3 adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), Mu-type opioid receptor, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), and Sodium-dependent dopamine transporter, Uniprot P08908, P08913, P13945, P14416, P14842, P18825, P21728, P21917, P21918, P25021, P28221, P28222, P28335, P28566, P31645, P34969, P35348, P35367, P35368, P35372, P41595, P46098, P47898, P50406, Q01959, Q4W594, and Q9Y5N1
DOI: 10.7270/q2222tvt
title: BindingDB Entry 50030747: A new small molecule that directly inhibits the DNA binding of NF-kappaB.

description: Small molecule binding data for protein Nuclear factor NF-kappa-B (NF-kB), Uniprot P19838
DOI: 10.7270/q24x57rt
title: BindingDB Entry 50029731: TBA

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q25m65ms
title: BindingDB Entry 50028566: Diversity-oriented synthesis of a cytisine-inspired pyridone library leading to the discovery of novel inhibitors of Bcl-2.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl-xL/BAK, Uniprot P10415 and Q07817
DOI: 10.7270/q25t3kjs
title: BindingDB Entry 50030746: Novel 1-aminoethyl-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines are potent 5-HT(6) agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), Dopamine receptor, and Dopamine receptors; D2 & D4, Uniprot P21917, P28223, P28335, P34969, P35462, and P50406
DOI: 10.7270/q27p8zbs
title: BindingDB Entry 50029742: TBA

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q28k7961
title: BindingDB Entry 50030753: 3,4-Diaryl-isoxazoles and -imidazoles as potent dual inhibitors of p38alpha mitogen activated protein kinase and casein kinase 1delta.

description: Small molecule binding data for protein Casein kinase I delta, Casein kinase I delta/epsilon, Casein kinase I isoform delta, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, and Mitogen-activated protein kinase 9, Uniprot P45984, P48730, P49674, P53779, Q06486, and Q16539
DOI: 10.7270/q28p60gj
title: BindingDB Entry 50029730: TBA

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu opioid receptor, Uniprot P41143, P41145, and P79350
DOI: 10.7270/q29886wb
title: BindingDB Entry 50028562: Synthesis and biological evaluation of ((4-keto)-phenoxy)methyl biphenyl-4-sulfonamides: a class of potent aggrecanase-1 inhibitors.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), Collagenase, Matrix metalloproteinase-1 (MMP1), and Matrix metalloproteinase-14 (MMP14), Uniprot O75173, P03956, P08253, P45452, P50281, and Q9UNA0
DOI: 10.7270/q29k4b8h
title: BindingDB Entry 50030745: SAR and biological evaluation of SEN12333/WAY-317538: Novel alpha 7 nicotinic acetylcholine receptor agonist.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2cf9q2h
title: BindingDB Entry 50029741: TBA

description: Small molecule binding data for protein Thrombin and coagulation factor VII, Uniprot P00734
DOI: 10.7270/q2d21xh9
title: BindingDB Entry 50028583: Identification of 3-substituted N-benzhydryl-nortropane analogs as nociceptin receptor ligands for the management of cough and anxiety.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q2f18zk7
title: BindingDB Entry 50028560: 3-Benzyl-1,3-oxazolidin-2-ones as mGluR2 positive allosteric modulators: Hit-to lead and lead optimization.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A) and Metabotropic glutamate receptor 2 (mGluR2), Uniprot P28223 and Q14416