cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2z60p7s
title: BindingDB Entry 50031711: Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor, Histamine receptor (H3), and Voltage-gated potassium channel, Uniprot Q12809, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q20c4w9q
title: BindingDB Entry 50035126: 5,5-Diaryl-2-amino-4-pentenoates as novel, potent, and selective glycine transporter type-2 reuptake inhibitors.

description: Small molecule binding data for protein Glycine transporter 2 and Glycine-1-transporter, Uniprot P28572 and P58295
DOI: 10.7270/q20z73f0
title: BindingDB Entry 50031729: Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and Mitogen-activated protein kinase 9, Uniprot P45984 and Q16539
DOI: 10.7270/q2154h9d
title: BindingDB Entry 50032645: Discovery of CP-690,550: a potent and selective Janus kinase (JAK) inhibitor for the treatment of autoimmune diseases and organ transplant rejection.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P05177, P08684, P10635, P23458, P29597, P33261, and P52333
DOI: 10.7270/q2154hgn
title: BindingDB Entry 50034323: Novel immunomodulators based on an oxazolin-2-one-4-carboxamide scaffold.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, and Q99500
DOI: 10.7270/q21z44kc
title: BindingDB Entry 50031719: Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active histamine type 3 receptor agonist and evaluation of its antistress activity in mice.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), Histamine receptor (H4), Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Serotonin 3 (5-HT3) receptor, Uniprot P05177, P07550, P08588, P08684, P08908, P10635, P11229, P14416, P20309, P21728, P25021, P28223, P33261, P35367, P35462, P46098, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2348kwn
title: BindingDB Entry 50035133: Synthesis of substituted 5[H]phenanthridin-6-ones as potent poly(ADP-ribose)polymerase-1 (PARP1) inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2377927
title: BindingDB Entry 50033468: Identification of a novel series of 3-piperidinyl-5-sulfonylindazoles as potent 5-HT6 ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q23x872p
title: BindingDB Entry 50034330: One-pot regioselective synthesis of tetrahydroindazolones and evaluation of their antiproliferative and Src kinase inhibitory activities.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2445n1f
title: BindingDB Entry 50035125: Ring-Constrained (N)-methanocarba nucleosides as adenosine receptor agonists: independent 5'-uronamide and 2'-deoxy modifications.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, P30542, and P30543
DOI: 10.7270/q24q7v4w
title: BindingDB Entry 50031727: Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q24t6jnj
title: BindingDB Entry 50032644: Structure-based design, synthesis, and pharmacological evaluation of 3-(aminoalkyl)-5-fluoroindoles as myeloperoxidase inhibitors.

description: Small molecule binding data for protein Myeloperoxidase (MPO), Uniprot P05164
DOI: 10.7270/q24x587h
title: BindingDB Entry 50034322: Investigation of chalcones and benzochalcones as inhibitors of breast cancer resistance protein.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q25m65wc
title: BindingDB Entry 50031718: Glutarimide alkaloids and a terpenoid benzoquinone from Cordia globifera.

description: Small molecule binding data for protein Xanthine oxidase, Uniprot P47989
DOI: 10.7270/q26w9bm2
title: BindingDB Entry 50035132: Synthesis and evaluation of GGPP geometric isomers: divergent substrate specificities of FTase and GGTase I.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT), Uniprot P49354 and P53609
DOI: 10.7270/q27081sj
title: BindingDB Entry 50033467: Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for neuropathic pain.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5, and metabotropic glutamate 1/2, Uniprot P23385, P41594, and Q13255
DOI: 10.7270/q27m0860
title: BindingDB Entry 50032651: Synthesis of phosphatidylinositol 3-kinase (PI3K) inhibitory analogues of the sponge meroterpenoid liphagal.

description: Small molecule binding data for protein PI3-kinase subunit alpha and PI3-kinase subunit gamma, Uniprot P42336 and P48736
DOI: 10.7270/q27p8zt2
title: BindingDB Entry 50034329: Discovery of a novel EP2/EP4 dual agonist with high subtype-selectivity.

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/q28c9wfw
title: BindingDB Entry 50031726: Frontal affinity chromatography-mass spectrometry useful for characterization of new ligands for GPR17 receptor.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Purinergic receptor P2Y12, and Uracil nucleotide/cysteinyl leukotriene receptor, Uniprot P47900, Q13304, and Q9H244
DOI: 10.7270/q28k79bt
title: BindingDB Entry 50032643: Identification and synthesis of novel inhibitors of acetyl-CoA carboxylase with in vitro and in vivo efficacy on fat oxidation.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763, P11497, and Q13085
DOI: 10.7270/q2bp03bb
title: BindingDB Entry 50035131: Synthesis of novel sialylmimetics as biological probes.

description: Small molecule binding data for protein Selectin E, Uniprot P16581
DOI: 10.7270/q2br8sj1
title: BindingDB Entry 50033466: Design, synthesis and biological evaluation of novel substituted benzoylguanidine derivatives as potent Na+/H+ exchanger inhibitors.

description: Small molecule binding data for protein Sodium/hydrogen exchanger 1, Uniprot P26431
DOI: 10.7270/q2cc10x9
title: BindingDB Entry 50032650: Modulating oxytocin activity and plasma stability by disulfide bond engineering.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559
DOI: 10.7270/q2cf9qjs
title: BindingDB Entry 50034328: Novel and selective spiroindoline-based inhibitors of Sky kinase.

description: Small molecule binding data for protein AKT/p21CIP1, AXL receptor tyrosine kinase, Casein kinase I isoform delta, Cyclin-dependent kinase 2, Cytochrome P450 2D6 (2D6), Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, IKK epsilon/TBK1, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, MAP kinase ERK2, MAP kinase-activated protein kinase 2, MER intracellular domain/EGFR extracellular domain chimera, Neurotrophic tyrosine kinase receptor, Protein kinase C (PKC), Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase Sgk1, Serine/threonine-protein kinase TAO3, Syk protein, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O00141, O14757, O14920, O14965, O96013, O96017, P00519, P00533, P04629, P06213, P06239, P08581, P10635, P11362, P12931, P24941, P28482, P30530, P31749, P35968, P48730, P49137, P49841, Q05513, Q06187, Q12866, Q14164, Q15118, Q9H2K8, and Q9P1W9
DOI: 10.7270/q2d50n4q
title: BindingDB Entry 50031725: Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2gf0v17
title: BindingDB Entry 50035130: Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P10938 and P11086
DOI: 10.7270/q2gh9j96
title: BindingDB Entry 50033465: Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, PTK2B protein tyrosine kinase 2 beta (PTK2B), and Voltage-gated potassium channel, Uniprot Q05397, Q12809, and Q14289
DOI: 10.7270/q2h41rp3
title: BindingDB Entry 50032649: ApoA-I mimetic peptides promote pre-ß HDL formation in vivo causing remodeling of HDL and triglyceride accumulation at higher dose.

description: Small molecule binding data for protein ATP-binding cassette sub-family A member 1, Uniprot P41233
DOI: 10.7270/q2h70g82
title: BindingDB Entry 50034327: A novel series of glucagon receptor antagonists with reduced molecular weight and lipophilicity.

description: Small molecule binding data for protein Gastric inhibitory polypeptide receptor, Glucagon receptor, and Glucagon-like peptide 1 receptor (GLP-1), Uniprot P43220, P47871, and P48546
DOI: 10.7270/q2hx1ct8
title: BindingDB Entry 50031724: Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.

description: Small molecule binding data for protein Histone deacetylase, Uniprot Q92769
DOI: 10.7270/q2m61kk9
title: BindingDB Entry 50033464: A new series of 3-phenylcoumarins as potent and selective MAO-B inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2m61krj
title: BindingDB Entry 50035129: New probes of the agonist binding site of metabotropic glutamate receptors.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 8 (mGlu8), and metabotropic glutamate 1/2, Uniprot P23385, P31421, and P70579
DOI: 10.7270/q2mw2hdh
title: BindingDB Entry 50032648: Discovery of a novel class of biphenyl pyrazole sodium channel blockers for treatment of neuropathic pain.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Pregnane X receptor (PXR), Sodium channel alpha subunit, Voltage-gated sodium channel subunit Nav1.5, and Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot O75469, P08684, P10635, P11712, Q14524, Q15858, and Q9Y5Y9
DOI: 10.7270/q2n016zx
title: BindingDB Entry 50034326: Structure-based design of PDK1 inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Cyclin-dependent kinase 2, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot O15530, O60674, P24941, and P36888
DOI: 10.7270/q2np24kf
title: BindingDB Entry 50031722: Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation.

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/q2pz595b
title: BindingDB Entry 50033471: Pyridones as glucokinase activators: identification of a unique metabolic liability of the 4-sulfonyl-2-pyridone heterocycle.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2qv3n2n
title: BindingDB Entry 50035128: Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, and P22894
DOI: 10.7270/q2rf5v5d
title: BindingDB Entry 50031731: Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, Aurora kinase B/Inner centromere protein, CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase), CDK2/CycE, CDK2/Cyclin A/Cyclin A1, CDK7/Cyclin H/MNAT1, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 5 (CDK5), Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Neurotrophic tyrosine kinase receptor, PKC alpha and beta-2, Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), SRC, Serine/threonine-protein kinase 2, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase NEK6, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, Serine/threonine-protein kinase PLK3, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), Vascular endothelial growth factor receptor 2, and cAMP-dependent protein kinase (PKA), Uniprot O00311, O14757, O14920, O14965, O96013, P00519, P00533, P04629, P05771, P06213, P06239, P06493, P07949, P08069, P08581, P10721, P11362, P11802, P14635, P17612, P20248, P24385, P24864, P24941, P28482, P31749, P35916, P35968, P49137, P49841, P50613, P53350, P78396, Q00535, Q15078, Q15118, Q16539, Q96GD4, Q9H2G2, Q9H4B4, Q9HC98, Q9NYY3, and Q9UM73
DOI: 10.7270/q2rn3847
title: BindingDB Entry 50032647: Structure-activity relationships of substituted 1-pyridyl-2-phenyl-1,2-ethanediones: potent, selective carboxylesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Acyl-CoA: cholesterol acyltransferase (ACAT), and Cholinesterase, Uniprot P06276, P22303, and P23141
DOI: 10.7270/q2rn389g
title: BindingDB Entry 50034325: Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 2, Uniprot P49137
DOI: 10.7270/q2sf2wb7
title: BindingDB Entry 50031721: 3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 3: Synthesis, metabolic stability, and biological evaluation of optically active analogs.

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/q2tq61v6
title: BindingDB Entry 50033470: Carbonic anhydrase inhibitors. Phenacetyl-, pyridylacetyl- and thienylacetyl-substituted aromatic sulfonamides act as potent and selective isoform VII inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 7, Uniprot P00915, P00918, and P43166
DOI: 10.7270/q2vm4csz
title: BindingDB Entry 50035127: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 1: discovery of the pyrrolidine scaffold and determination of its stereochemical requirements.

description: Small molecule binding data for protein CCR5/mu opioid receptor complex, Uniprot P51681
DOI: 10.7270/q2vq3300
title: BindingDB Entry 50033462: Novel carbamate cholinesterase inhibitors that release biologically active amines following enzyme inhibition.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2wd40vj
title: BindingDB Entry 50032646: Chemical switch of a metabotropic glutamate receptor 2 silent allosteric modulator into dual metabotropic glutamate receptor 2/3 negative/positive allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2) and metabotropic glutamate 1c, Uniprot Q14416 and Q14832
DOI: 10.7270/q2wd410r
title: BindingDB Entry 50034324: Discovery, design and synthesis of novel potent and selective sphingosine-1-phosphate 4 receptor (S1P4-R) agonists.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 4, Uniprot O95977
DOI: 10.7270/q2x63n4v
title: BindingDB Entry 50031720: Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2zg6skj
title: BindingDB Entry 50033469: 1-[4-(N-Benzylamino)phenyl]-3-phenylurea derivatives as a new class of hypoxia-inducible factor-1alpha inhibitors.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2057g6g
title: BindingDB Entry 50032653: Aldehyde oxidase: an enzyme of emerging importance in drug discovery.

description: Small molecule binding data for protein Aldehyde oxidase, Uniprot O54754, P80456, Q06278, Q5FB27, and Q9Z0U5
DOI: 10.7270/q2057gb8
title: BindingDB Entry 50034331: Optimization of phenylacetic acid derivatives for CRTH2 and DP selective antagonism.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q22807x0
title: BindingDB Entry 50033476: Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q22z15t3
title: BindingDB Entry 50032661: Synthesis and biological evaluation of new N-alkyl 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides as cannabinoid receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q22z15zw
title: BindingDB Entry 50034338: 5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q23x86w1
title: BindingDB Entry 50032652: The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q25x29fs
title: BindingDB Entry 50035140: Development of specific CXCR4 inhibitors possessing high selectivity indexes as well as complete stability in serum based on an anti-HIV peptide T140.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q26110nq
title: BindingDB Entry 50033475: Discovery of selective PDE4B inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P05177, P08684, P10635, P11712, Q07343, and Q08499
DOI: 10.7270/q26q1xh0
title: BindingDB Entry 50032660: 1,2-diamino-ethane-substituted-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepines as TRPV1 antagonists with improved properties.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q26q1xp7
title: BindingDB Entry 50034337: Discovery and optimization of thieno[2,3-d]pyrimidines as B-Raf inhibitors.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q29s1rcr
title: BindingDB Entry 50033474: Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype.

description: Small molecule binding data for protein GRM7, GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, and metabotropic glutamate 1c, Uniprot O00222, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q2bc3zsj
title: BindingDB Entry 50032659: Synthesis of novel chiral¿2-isoxazoline derivatives related to ABT-418 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 protein alpha-4/beta-2 subunit, Uniprot P09483, P12390, and Q05941
DOI: 10.7270/q2bg2pfd
title: BindingDB Entry 50034336: Identification of oxazolidinediones and thiazolidinediones as potent 17ß-hydroxysteroid dehydrogenase type 3 inhibitors.

description: Small molecule binding data for protein 17-beta-hydroxysteroid dehydrogenase type 3 and Testosterone 17-beta-dehydrogenase 3, Uniprot P37058 and P70385
DOI: 10.7270/q2c53m1s
title: BindingDB Entry 50031734: Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2ff3swf
title: BindingDB Entry 50035138: Inhibition of fucosyltransferase V by a GDP-Azasugar.

description: Small molecule binding data for protein Fucosyltransferase 5, Uniprot Q11128
DOI: 10.7270/q2fj2h4x
title: BindingDB Entry 50033473: Synthesis and biological evaluation of novel gamma-carboline analogues of Dimebon as potent 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Acetylcholinesterase, Cholinesterase, and Histamine H1 receptor, Uniprot P06276, P22303, P35367, and P50406
DOI: 10.7270/q2g44qh8
title: BindingDB Entry 50032658: Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511