cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m61m94
title: BindingDB Entry 50039949: Discovery of the novel potent and selective FLT3 inhibitor 1-{5-[7-(3- morpholinopropoxy)quinazolin-4-ylthio]-[1,3,4]thiadiazol-2-yl}-3-p-tolylurea and its anti-acute myeloid leukemia (AML) activities in vitro and in vivo.

description: Small molecule binding data for protein C-RAF, Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, JAK3/JAK1, 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, SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, O14965, P00533, P04049, P06239, P07333, P07949, P08069, P08581, P09619, P10721, P11309, P16234, P17948, P35916, P35968, P36888, P43405, P52333, and P53350
DOI: 10.7270/q2mg7q7h
title: BindingDB Entry 50037246: N6-cyclopentyl-2-(3-phenylaminocarbonyltriazene-1-yl)adenosine (TCPA), a very selective agonist with high affinity for the human adenosine A1 receptor.

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/q2nz88k4
title: BindingDB Entry 50039145: Synthesis of 7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-ylamine and its analogs as bombesin receptor subtype-3 agonists.

description: Small molecule binding data for protein BRS3 and Bombesin, Uniprot P32247 and Q8K418
DOI: 10.7270/q2qj7j55
title: BindingDB Entry 50038216: Synthesis and inhibitory activity of oligosaccharide thiazolines as a class of mechanism-based inhibitors for endo-beta-N-acetylglucosaminidases.

description: Small molecule binding data for protein Endo-beta-N-acetylglucosaminidase, Uniprot Q8NFI3
DOI: 10.7270/q2qz2c03
title: BindingDB Entry 50039948: Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1).

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2r78fzt
title: BindingDB Entry 50037244: Kinase inhibitors: not just for kinases anymore.

description: Small molecule binding data for protein Beta-chymotrypsin, Cyclin-dependent kinase 2, Cyclooxygenase-1 (COX-1), DNA-dependent protein kinase, Dual specificity mitogen-activated protein kinase kinase 1, MAP kinase p38, MAP kinase-activated protein kinase 5, Malate dehydrogenase, Protein kinase C (PKC), Protein kinase C alpha type, Protein kinase C delta type, Protein kinase N1, Protein kinase N2, Rho-associated protein kinase, SM myosin light chain kinase (smMLCK), VEGF-receptor 2 and tyrosine-protein kinase SRC, and cAMP-dependent protein kinase (PKA), Uniprot O15264, O75116, O94806, P05129, P05771, P10584, P12931, P17252, P17612, P22612, P22694, P23219, P24723, P24941, P41743, P53778, P78527, Q02156, Q02750, Q04759, Q05513, Q05655, Q15139, Q15746, Q15759, Q16512, Q16513, Q16539, and Q8IW41
DOI: 10.7270/q2sq91b9
title: BindingDB Entry 50039144: Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.

description: Small molecule binding data for protein Carbonic anhydrase 2 and Carbonic anhydrase 4, Uniprot P00918 and P22748
DOI: 10.7270/q2v988zc
title: BindingDB Entry 50038215: CoMFA and HQSAR studies on 6,7-dimethoxy-4-pyrrolidylquinazoline derivatives as phosphodiesterase10A inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot Q13370, Q14432, and Q9Y233
DOI: 10.7270/q2vq33qd
title: BindingDB Entry 50039947: Investigation of chalcones as selective inhibitors of the breast cancer resistance protein: critical role of methoxylation in both inhibition potency and cytotoxicity.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q2w096pj
title: BindingDB Entry 50037243: Synthesis and pharmacology of site specific cocaine abuse treatment agents: 8-substituted isotropane (3-azabicyclo[3.2.1]octane) dopamine uptake inhibitors.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2xg9s33
title: BindingDB Entry 50039143: Probing the cannabinoid CB1/CB2 receptor subtype selectivity limits of 1,2-diarylimidazole-4-carboxamides by fine-tuning their 5-substitution pattern.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2zg6t61
title: BindingDB Entry 50039135: Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q21837fj
title: BindingDB Entry 50039150: Synthesis, chiral high performance liquid chromatographic resolution and enantiospecific activity of a potent new geranylgeranyl transferase inhibitor, 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropionic acid.

description: Small molecule binding data for protein Farnesyl diphosphate synthase and Geranylgeranyl Diphosphate Synthase (GGPPS), Uniprot O95749 and P14324
DOI: 10.7270/q22808nt
title: BindingDB Entry 50039961: Natural products as a gold mine for selective matrix metalloproteinases inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P39900, and P45452
DOI: 10.7270/q23779r6
title: BindingDB Entry 50039953: Optimization of (2,3-dihydro-1-benzofuran-3-yl)acetic acids: discovery of a non-free fatty acid-like, highly bioavailable G protein-coupled receptor 40/free fatty acid receptor 1 agonist as a glucose-dependent insulinotropic agent.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842 and Q8K3T4
DOI: 10.7270/q2514058
title: BindingDB Entry 50039149: Benzimidazole and imidazole inhibitors of histone deacetylases: Synthesis and biological activity.

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/q27945f9
title: BindingDB Entry 50037249: 14-amino, 14-alkylamino, and 14-acylamino analogs of oxymorphindole. Differential effects on opioid receptor binding and functional profiles.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q27s7pq2
title: BindingDB Entry 50039156: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q28s4qww
title: BindingDB Entry 50039148: Cytotoxic and NF-kappaB inhibitory constituents of Artocarpus rigida.

description: Small molecule binding data for protein Nuclear factor NF-kappa-B and Nuclear factor NF-kappa-B (NF-kB), Uniprot P19838 and Q04206
DOI: 10.7270/q29s1s3k
title: BindingDB Entry 50039959: Beta-carboline alkaloids derived from the ascidian Synoicum sp.

description: Small molecule binding data for protein Isocitrate lyase and Sortase A (SrtA), Uniprot Q9P8Q7
DOI: 10.7270/q2b27w2q
title: BindingDB Entry 50037256: A new class of nonpeptide bradykinin B(2) receptor ligand, incorporating a 4-aminoquinoline framework. Identification of a key pharmacophore to determine species difference and agonist/antagonist profile.

description: Small molecule binding data for protein BDKRB2, Uniprot P30411
DOI: 10.7270/q2c24x5n
title: BindingDB Entry 50037248: Novel nonimidazole histamine H3 receptor antagonists: 1-(4-(phenoxymethyl)benzyl)piperidines and related compounds.

description: Small molecule binding data for protein HRH3, Histamine H1 receptor, Histamine H2 receptor, Histamine N-methyltransferase, and Histamine receptor (H3), Uniprot P31389, P47747, Q01984, Q9JI35, and Q9Y5N1
DOI: 10.7270/q2cj8ffs
title: BindingDB Entry 50039155: Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2dj5gk5
title: BindingDB Entry 50039147: Structure-activity relationships of bioisosteric replacement of the carboxylic acid in novel androgen receptor pure antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2f190k1
title: BindingDB Entry 50038226: Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme.

description: Small molecule binding data for protein 6-phosphogluconate dehydrogenase (6PGD) and Glucose-6-phosphate 1-dehydrogenase, Uniprot P11412 and P52209
DOI: 10.7270/q2fj2hvb
title: BindingDB Entry 50039958: Fused tricyclic indoles as S1P1 agonists with robust efficacy in animal models of autoimmune disease.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 1 (S1P1), Sphingosine 1-phosphate receptor 3, and Voltage-gated potassium channel, Uniprot O08530, O95136, O95977, P05177, P08684, P10635, P11712, P21453, P33261, P48303, Q12809, Q99500, and Q9H228
DOI: 10.7270/q2ft8msq
title: BindingDB Entry 50037255: Synthesis of novel potent dipeptidyl peptidase IV inhibitors with enhanced chemical stability: interplay between the N-terminal amino acid alkyl side chain and the cyclopropyl group of alpha-aminoacyl-l-cis-4,5-methanoprolinenitrile-based inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase IV, Uniprot P22411
DOI: 10.7270/q2gh9k0k
title: BindingDB Entry 50039950: Structure-based design of novel benzoxazinorifamycins with potent binding affinity to wild-type and rifampin-resistant mutant Mycobacterium tuberculosis RNA polymerases.

description: Small molecule binding data for protein Pregnane X receptor (PXR), Uniprot O75469
DOI: 10.7270/q2h99642
title: BindingDB Entry 50039154: Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular).

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Corticotropin releasing factor receptor 1, Cytochrome P450 3A, Delta-type opioid receptor, Dopamine receptor, Dopamine receptors; D2 & D4, and Pregnane X receptor (PXR), Uniprot O75469, P08684, P08913, P18825, P21917, P34998, P35462, P41143, and Q4W594
DOI: 10.7270/q2js9r8m
title: BindingDB Entry 50038225: Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1).

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 1, Protein kinase C theta type, TAK1/TAB1, and c-Jun N-terminal kinase, JNK, Uniprot O14920, O43318, P27361, P45983, P45984, P49185, P53779, Q04759, Q13233, and Q16539
DOI: 10.7270/q2k938k2
title: BindingDB Entry 50039957: Biochemical and pharmacological evaluation of 4-hydroxychromen-2-ones bearing polar C-3 substituents as anticoagulants.

description: Small molecule binding data for protein Vitamin K epoxide reductase complex subunit 1 (hVKORC1), Uniprot Q9BQB6
DOI: 10.7270/q2kh0p3p
title: BindingDB Entry 50037254: General model for estimation of the inhibition of protein kinases using Monte Carlo simulations.

description: Small molecule binding data for protein Cyclin-dependent kinase 2 and SRC, Uniprot P06239 and P24941
DOI: 10.7270/q2n017hh
title: BindingDB Entry 50039153: Novel N2-substituted pyrazolo[3,4-d]pyrimidine adenosine A3 receptor antagonists: inhibition of A3-mediated human glioblastoma cell proliferation.

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/q2pk0h0w
title: BindingDB Entry 50038224: A novel synthesis and pharmacological evaluation of a potential dopamine D1/D2 agonist: 1-propyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-6,7-diol.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P21728
DOI: 10.7270/q2pz59v9
title: BindingDB Entry 50039956: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Dual specificity protein kinase TTK, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase PLK1, Uniprot O14965, P33981, P53350, and Q96GD4
DOI: 10.7270/q2q81dt0
title: BindingDB Entry 50037253: Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database.

description: Small molecule binding data for protein X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170
DOI: 10.7270/q2rr206g
title: BindingDB Entry 50039152: 4-hydroxy-1,2,5-oxadiazol-3-yl moiety as bioisoster of the carboxy function. Synthesis, ionization constants, and molecular pharmacological characterization at ionotropic glutamate receptors of compounds related to glutamate and its homologues.

description: Small molecule binding data for protein GRIA2, Glutamate [NMDA] receptor subunit epsilon 1/zeta 1, Glutamate kainate, Glutamate receptor ionotropic, AMPA 2, Glutamate receptor ionotropic, kainate, and Ionotropic glutamate receptor kainate 2/5, Uniprot P19491, P22756, P35439, P42260, P42262, P42264, and Q00959
DOI: 10.7270/q2tb17rn
title: BindingDB Entry 50038223: Pivaloyloxymethyl-modified isoprenoid bisphosphonates display enhanced inhibition of cellular geranylgeranylation.

description: Small molecule binding data for protein Farnesyl diphosphate synthase and Geranylgeranyl Diphosphate Synthase (GGPPS), Uniprot O95749 and P14324
DOI: 10.7270/q2tq62jk
title: BindingDB Entry 50039955: Synthesis and SAR of 4-aminocyclopentapyrrolidines as N-type Ca²¿ channel blockers with analgesic activity.

description: Small molecule binding data for protein Calcium channel (Type N), Uniprot Q02294
DOI: 10.7270/q2v125jq
title: BindingDB Entry 50037252: Synthesis and biological evaluation of 14-alkoxymorphinans. 18. N-substituted 14-phenylpropyloxymorphinan-6-ones with unanticipated agonist properties: extending the scope of common structure-activity relationships.

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P41145
DOI: 10.7270/q2wh2qxd
title: BindingDB Entry 50039151: 1-(2-(2,2,2-trifluoroethoxy)ethyl-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors.

description: Small molecule binding data for protein Voltage-gated potassium channel and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074 and Q12809
DOI: 10.7270/q2z320ht
title: BindingDB Entry 50038222: Synthesis and pharmacological characterization at glutamate receptors of the four enantiopure isomers of tricholomic acid.

description: Small molecule binding data for protein GRIA3, Glutamate kainate, Glutamate receptor 1 (GluA1), Glutamate receptor ionotropic, AMPA 2, Glutamate receptor ionotropic, AMPA 4, Ionotropic glutamate receptor kainate 2/5, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGlu4), and metabotropic glutamate 1/2, Uniprot P19490, P19491, P19492, P19493, P22756, P23385, P31423, P42260, and Q14416
DOI: 10.7270/q2zg6t8x
title: BindingDB Entry 50039954: Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P21728, P23975, P31645, and Q01959
DOI: 10.7270/q2zs2x8r
title: BindingDB Entry 50037251: Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery.

description: Small molecule binding data for protein Cytochrome P450 3A, P-glycoprotein (P-gp), P-glycoprotein 1, and P-glycoprotein 1 and 3 (MDR1a/MDR1b), Uniprot P06795, P08183, P08684, and P21447
DOI: 10.7270/q2086678
title: BindingDB Entry 50039158: Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction.

description: Small molecule binding data for protein WD repeat-containing protein 5 (WDR5), Uniprot P61964
DOI: 10.7270/q21v5ftk
title: BindingDB Entry 50038229: Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q22j6cmn
title: BindingDB Entry 50037258: Incorporating molecular shape into the alignment-free Grid-Independent Descriptors.

description: Small molecule binding data for protein Adenosine receptor A1, Cathepsin D, and Plasmepsin 2, Uniprot P07339, P30542, and P46925
DOI: 10.7270/q2319wv8
title: BindingDB Entry 50039165: Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2416z02
title: BindingDB Entry 50039157: Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 8 (TRPM8), Transient receptor potential cation channel subfamily V member 1, Transient receptor potential cation channel subfamily V member 3, Transient receptor potential cation channel subfamily V member 4 (TRPV4), and Vanilloid receptor, Uniprot O35433, O75762, Q6RI86, Q7Z2W7, Q8BLA8, Q8NER1, Q8NET8, and Q9HBA0
DOI: 10.7270/q25m66j9
title: BindingDB Entry 50038228: Discovery of a novel series of nonsteroidal androgen receptor modulators: 5- or 6-oxachrysen-2-ones.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q26111cj
title: BindingDB Entry 50039960: C-Aryl 5a-carba-ß-d-glucopyranosides as novel sodium glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Cytochrome P450 3A, Sodium/glucose cotransporter 1 (SGLT1), and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P08684, P13866, and P31639
DOI: 10.7270/q26974bc
title: BindingDB Entry 50037257: Carbonic anhydrase inhibitors: synthesis and topical intraocular pressure lowering effects of fluorine-containing inhibitors devoid of enhanced reactivity.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, and Q95323
DOI: 10.7270/q26t0nmp
title: BindingDB Entry 50039164: (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6) and Serotonin receptor (2b and 2c), Uniprot P41595 and P50406
DOI: 10.7270/q28s4qzs
title: BindingDB Entry 50039967: Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: the hydrophobic side chain influences type A subtype selectivity.

description: Small molecule binding data for protein Neuraminidase, Neuraminidase A, and Neuraminidase B, Uniprot P03468, P03474, and P0DOF9,P0DOF6
DOI: 10.7270/q2930txg
title: BindingDB Entry 50037265: Characterization of a ligand-receptor binding event using receptor-dependent four-dimensional quantitative structure-activity relationship analysis.

description: Small molecule binding data for protein Brain glycogen phosphorylase, Uniprot P11216
DOI: 10.7270/q29887wr
title: BindingDB Entry 50038227: Proline-rich tyrosine kinase 2 regulates osteoprogenitor cells and bone formation, and offers an anabolic treatment approach for osteoporosis.

description: Small molecule binding data for protein PTK2B protein tyrosine kinase 2 beta (PTK2B), Uniprot Q14289
DOI: 10.7270/q2bk1dbd
title: BindingDB Entry 50039163: Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation.

description: Small molecule binding data for protein Aromatase (CYP19) and Cytochrome P450 17A1, Uniprot P05093 and P11511
DOI: 10.7270/q2d21zg8
title: BindingDB Entry 50038234: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2dj5gph
title: BindingDB Entry 50039966: Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptors.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q2gb251p
title: BindingDB Entry 50039162: Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-C, and Voltage-gated potassium channel, Uniprot O14965, P05177, P08684, P10635, P11509, P11712, P33261, Q12809, Q96GD4, and Q9UQB9
DOI: 10.7270/q2ht2q57
title: BindingDB Entry 50038233: Identification of novel benzimidazole series of potent and selective ORL1 antagonists.

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/q2j967fp
title: BindingDB Entry 50039965: Synthesis of pacidamycin analogues via an Ugi-multicomponent reaction.

description: Small molecule binding data for protein Phospho-N-acetylmuramoyl-pentapeptide-transferase, Uniprot P0C1R8