cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2xg9shg
title: BindingDB Entry 50042903: Novel IKKß inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2xk8grj
title: BindingDB Entry 50041122: Nonquaternary cholinesterase reactivators. 2. Alpha-heteroaromatic aldoximes and thiohydroximates as reactivators of ethyl methylphosphonyl-acetylcholinesterase in vitro.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2zc83zx
title: BindingDB Entry 50040160: Structure and activity relationship in the (S)-N-chroman-3-ylcarboxamide series of voltage-gated sodium channel blockers.

description: Small molecule binding data for protein Cannabinoid receptor 1, Ghrelin receptor, Sodium channel alpha subunit, Sodium-dependent dopamine transporter, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P21554, Q01959, Q12809, Q14524, Q15858, and Q92847
DOI: 10.7270/q2028sv2
title: BindingDB Entry 50042384: Synthesis, crystal structure and antidiabetic activity of substituted (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one.

description: Small molecule binding data for protein Lysosomal alpha-glucosidase and Pancreatic alpha-amylase, Uniprot P00690 and P10253
DOI: 10.7270/q20k29tq
title: BindingDB Entry 50041867: 3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors.

description: Small molecule binding data for protein Bcl-xL/BAK, Uniprot Q07817
DOI: 10.7270/q21837wc
title: BindingDB Entry 50042910: Design and synthesis of 1-aryl-5-anilinoindazoles as c-Jun N-terminal kinase inhibitors.

description: Small molecule binding data for protein c-Jun N-terminal kinase 3, Uniprot P49187
DOI: 10.7270/q21z45jb
title: BindingDB Entry 50040617: Imidazopyridazinones as novel PDE7 inhibitors: SAR and in vivo studies in Parkinson's disease model.

description: Small molecule binding data for protein High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, Phosphodiesterase 7, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cAMP-specific 3',5'-cyclic phosphodiesterase 7B, Uniprot P70453, Q08499, Q13946, and Q9NP56
DOI: 10.7270/q2251k8z
title: BindingDB Entry 50040168: Design, synthesis and identification of novel benzimidazole derivatives as highly potent NPY Y5 receptor antagonists with attractive in vitro ADME profiles.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Neuropeptide Y receptor type 5 (NPY Y5), Uniprot O70342, P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q23r0v65
title: BindingDB Entry 50042383: Enhanced bioactivity of silybin B methylation products.

description: Small molecule binding data for protein Cytochrome P450 2C9, Uniprot P11712
DOI: 10.7270/q25140m3
title: BindingDB Entry 50042909: Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt).

description: Small molecule binding data for protein Isoprenylcysteine carboxyl methyltransferase, Uniprot O60725
DOI: 10.7270/q25x2b0c
title: BindingDB Entry 50040167: Orally available pyridinylpyrimidine derivatives as novel RANKL-induced osteoclastogenesis inhibitors.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q28s4r9p
title: BindingDB Entry 50042908: Carbonic anhydrase inhibitors: inhibition of theß-class enzyme from the pathogenic yeast Candida glabrata with sulfonamides, sulfamates and sulfamides.

description: Small molecule binding data for protein beta-Carbonic Anhydrase, Uniprot Q5AJ71
DOI: 10.7270/q29c6zj7
title: BindingDB Entry 50040615: Potent HGF/c-Met axis inhibitors from Eucalyptus globulus: the coupling of phloroglucinol and sesquiterpenoid is essential for the activity.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q29p32p7
title: BindingDB Entry 50040166: A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P12931, and P35968
DOI: 10.7270/q2bv7hwv
title: BindingDB Entry 50041872: The identification of a series of novel, soluble non-peptidic neuropeptide Y Y2 receptor antagonists.

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 Neuropeptide Y-Y2 receptor, Uniprot P25929, P49146, and Q15761
DOI: 10.7270/q2df6sk7
title: BindingDB Entry 50042907: Synthesis and structure-activity relationships of carboxylic acid derivatives of pyridoxal as P2X receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 3, and P2X purinoceptor 7, Uniprot P51575, P51576, P56373, and Q99572
DOI: 10.7270/q2ff3tdk
title: BindingDB Entry 50040165: Exploration of ring size in a series of cyclic vicinal diamines withs1 receptor affinity.

description: Small molecule binding data for protein OPIATE Sigma, Sigma, and Sigma-1 receptor, Uniprot Q60492, Q99720, and Q9R0C9
DOI: 10.7270/q2g16246
title: BindingDB Entry 50042388: Heterobivalent dual-target probe for targeting GRP and Y1 receptors on tumor cells.

description: Small molecule binding data for protein GRPR and Neuropeptide Y receptor type 1, Uniprot P25929, P30550, and X5D7H2
DOI: 10.7270/q2gm88k4
title: BindingDB Entry 50041871: The discovery of new spirocyclic muscarinic M3 antagonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2j967j1
title: BindingDB Entry 50041125: Synthesis and in vitro pharmacology of 7-oxabicyclo[2.2.1]heptane analogues of thromboxane A2/PGH2.

description: Small molecule binding data for protein Prostaglandin D2 synthase and Thromboxane A2 Synthase (P450 TxA2), Uniprot O02853 and P24557
DOI: 10.7270/q2k64k49
title: BindingDB Entry 50040164: Dipeptidyl peptidase-4 inhibitor withß-amino amide scaffold: synthesis, SAR and biological evaluation.

description: Small molecule binding data for protein Cytochrome P450 3A, Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, and Dipeptidyl peptidase IX, Uniprot P08684, P27487, P28843, and Q86TI2
DOI: 10.7270/q2ks6svt
title: BindingDB Entry 50042387: Lead optimization of a dihydropyrrolopyrimidine inhibitor against phosphoinositide 3-kinase (PI3K) to improve the phenol glucuronic acid conjugation.

description: Small molecule binding data for protein PI3-kinase subunit alpha, Uniprot P42336
DOI: 10.7270/q2mc919v
title: BindingDB Entry 50041870: 5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2(1H)-quinolinones and 3,4-dihydro-2(1H)-quinolinones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors. Part 3.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Serotonin and norepinephrine transporters (SERT/NET), and Transcriptional regulator ERG, Uniprot P08908, P11308, P28221, P28222, and P31645
DOI: 10.7270/q2np25jd
title: BindingDB Entry 50040620: cis-4-amino-L-proline residue as a scaffold for the synthesis of cyclic and linear endomorphin-2 analogues: part 2.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Uncharacterized protein, and mu/kappa opioid receptor, Uniprot P32300, P35372, P41143, P41145, and P97266
DOI: 10.7270/q2p27096
title: BindingDB Entry 50041124: The histamine H2 receptor agonist impromidine: synthesis and structure-activity considerations.

description: Small molecule binding data for protein Histamine H2 receptor, Uniprot P47747
DOI: 10.7270/q2qj7jm0
title: BindingDB Entry 50042386: Synthesis of new N-(arylcyclopropyl)acetamides and N-(arylvinyl)acetamides as conformationally-restricted ligands for melatonin receptors.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2r49s2n
title: BindingDB Entry 50041869: Design, synthesis and SAR of a novel series of benzimidazoles as potent NPY Y5 antagonists.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor, Neuropeptide Y receptor type 5 ( NPY Y5), and Voltage-gated potassium channel, Uniprot P35348, Q12809, and Q15761
DOI: 10.7270/q2sf2x96
title: BindingDB Entry 50040619: Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1.

description: Small molecule binding data for protein Class I phosphodiesterase B1 (TbrPDEB1), Class I phosphodiesterase PDEB1, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2sq91rp
title: BindingDB Entry 50042904: Synthesis and evaluation of 7,8-dehydrorutaecarpine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2st7r17
title: BindingDB Entry 50041123: Synthesis of some quaternary ammonium alkylating agents and their effects on soman-inhibited acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q2v989dm
title: BindingDB Entry 50042385: A new single-photon emission computed tomography (SPECT) imaging agent for serotonin transporters: [(125)I]Flip-IDAM, (2-((2-((dimethylamino)methyl)-4-iodophenyl)thio)phenyl)methanol.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Uniprot P31645
DOI: 10.7270/q2vx0hs6
title: BindingDB Entry 50041868: Synthesis and characterization of a iodine-125-labeled pyrrolo[1,2-a]thieno[3,2-e]pyrazine and evaluation as a potential 5-HT4R SPECT tracer.

description: Small molecule binding data for protein HTR4, Uniprot O70528
DOI: 10.7270/q2x63p3t
title: BindingDB Entry 50040618: Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear receptor.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q20z74fd
title: BindingDB Entry 50040625: Modified acidic nonsteroidal anti-inflammatory drugs as dual inhibitors of mPGES-1 and 5-LOX.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Prostaglandin E synthase, Uniprot O14684 and P09917
DOI: 10.7270/q22v2hfn
title: BindingDB Entry 50042391: Epidithiodiketopiperazine as a pharmacophore for protein lysine methyltransferase G9a inhibitors: reducing cytotoxicity by structural simplification.

description: Small molecule binding data for protein Protein G9a (G9a), Uniprot Q96KQ7
DOI: 10.7270/q23b61d2
title: BindingDB Entry 50041875: Removal of the 26-methyl group from 19-nor-1a,25-dihydroxyvitamin D3 markedly reduces in vivo calcemic activity without altering in vitro VDR binding, HL-60 cell differentiation, and transcription.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P13053
DOI: 10.7270/q24q7w49
title: BindingDB Entry 50040624: Synthesis and biological evaluation of 1a,25-dihydroxyvitamin D3 analogues with a long side chain at C12 and short C17 side chains.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q26h4jq6
title: BindingDB Entry 50042390: Discovery of liver-targeted inhibitors of stearoyl-CoA desaturase (SCD1).

description: Small molecule binding data for protein Acyl-CoA desaturase 1 and Stearoyl-CoA desaturase 1 (SCD1), Uniprot P07308 and P13516
DOI: 10.7270/q2736s5v
title: BindingDB Entry 50041873: Discovery of NBI-77860/GSK561679, a potent corticotropin-releasing factor (CRF1) receptor antagonist with improved pharmacokinetic properties.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q28g8mt5
title: BindingDB Entry 50040623: Selective fluorescent nonpeptidic antagonists for vasopressin V2 GPCR: application to ligand screening and oligomerization assays.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Oxytocin receptor, Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, and Vasopressin V2 receptor (V2), Uniprot P11229, P30518, P30559, P37288, and P47901
DOI: 10.7270/q28s4r4f
title: BindingDB Entry 50041127: Inhibition of human leukocyte elastase, porcine pancreatic elastase, and chymotrypsin by elasnin and other 4-hydroxy-2-pyrones.

description: Small molecule binding data for protein Chymotrypsin, Elastase, and Leukocyte elastase, Uniprot P00772, P08246, and Q99895
DOI: 10.7270/q2b859dg
title: BindingDB Entry 50042389: Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility.

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 7 (TLR7), Uniprot P58681 and Q9NYK1
DOI: 10.7270/q2cj8fv5
title: BindingDB Entry 50042915: Design and synthesis of 2-substituted benzoxazoles as novel PTP1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and T-cell protein-tyrosine phosphatase, Uniprot P17706 and P18031
DOI: 10.7270/q2d50p3p
title: BindingDB Entry 50040622: Identification of high-affinity P2Y12 antagonists based on a phenylpyrazole glutamic acid piperazine backbone.

description: Small molecule binding data for protein Purinergic receptor P2Y1 and Purinergic receptor P2Y12, Uniprot P47900 and Q9H244
DOI: 10.7270/q2dj5gt9
title: BindingDB Entry 50041126: Opioid receptor interactions and conformations of the 6 alpha and 6 beta epimers of oxymorphamine. Solid-state conformation of 6 alpha-oxymorphamine.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2h70h6k
title: BindingDB Entry 50042914: Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties.

description: Small molecule binding data for protein Long-chain fatty acid transport protein 1, Uniprot Q60714 and Q6PCB7
DOI: 10.7270/q2hx1ds7
title: BindingDB Entry 50040621: Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P07858, P25774, and P43235
DOI: 10.7270/q2nz88qx
title: BindingDB Entry 50040171: Discovery of potent and selective rhodanine type IKKß inhibitors by hit-to-lead strategy.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Inhibitor of nuclear factor kappa-B kinase subunit beta, MAP kinase p38, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, and c-Jun N-terminal kinase, JNK, Uniprot O14920, O15111, O88351, P45983, P45984, P53779, Q15759, and Q16539
DOI: 10.7270/q2pk0hg5
title: BindingDB Entry 50042394: Synthesis and biological evaluation of analogues of the kinase inhibitor nilotinib as Abl and Kit inhibitors.

description: Small molecule binding data for protein Discoidin domain-containing receptor 2, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, SRC, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), and Tyrosine-protein kinase receptor FLT3, Uniprot P00519, P06239, P07948, P09619, P10721, P16234, P36888, and Q16832
DOI: 10.7270/q2rr20mv
title: BindingDB Entry 50042912: Design and synthesis of novel chromenone derivatives as interleukin-5 inhibitors.

description: Small molecule binding data for protein Interleukin-5, Uniprot P04401
DOI: 10.7270/q2rv0pvj
title: BindingDB Entry 50041131: Angiotensin-converting enzyme inhibitors: synthesis and biological activity of acyl tripeptide analogues of enalapril.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2sq91g3
title: BindingDB Entry 50040170: Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening.

description: Small molecule binding data for protein Serine/threonine-protein kinase Sgk1, Uniprot O00141
DOI: 10.7270/q2tb187b
title: BindingDB Entry 50042393: Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2wh2rcn
title: BindingDB Entry 50042911: In silico identification of poly(ADP-ribose)polymerase-1 inhibitors and their chemosensitizing effects against cisplatin-resistant human gastric cancer cells.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2wm1fk8
title: BindingDB Entry 50041130: Analogues of aminoglutethimide: selective inhibition of aromatase.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2xg9s6f
title: BindingDB Entry 50040169: Transition state analogue inhibitors of human methylthioadenosine phosphorylase and bacterial methylthioadenosine/S-adenosylhomocysteine nucleosidase incorporating acyclic ribooxacarbenium ion mimics.

description: Small molecule binding data for protein Methylthioadenosine Phosphorylase (MTAP), Uniprot Q13126
DOI: 10.7270/q2z3210h
title: BindingDB Entry 50042392: Novel benzoxazole inhibitors of mPGES-1.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, COX-2, Cyclooxygenase, Cyclooxygenase-2, Prostaglandin D Synthase, and Prostaglandin E synthase, Uniprot O14684, O60760, P20292, P35354, and P35355
DOI: 10.7270/q2zp47cj
title: BindingDB Entry 50041876: Novel alkyl- and arylcarbamate derivatives with N-benzylpiperidine and N-benzylpiperazine moieties as cholinesterases inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q20866p3
title: BindingDB Entry 50042918: Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 2.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q21837kb
title: BindingDB Entry 50040176: C-N bond formation under Cu-catalysis: synthesis and in vitro evaluation of N-aryl substituted thieno[2,3-d]pyrimidin-4(3H)-ones against chorismate mutase.

description: Small molecule binding data for protein Intracellular chorismate mutase, Uniprot P9WIC1
DOI: 10.7270/q21v5g98
title: BindingDB Entry 50042399: Antidepressant and antipsychotic activity of new quinoline- and isoquinoline-sulfonamide analogs of aripiprazole targeting serotonin 5-HT1A/5-HT2A/5-HT7 and dopamine D2/D3 receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Sodium-dependent serotonin transporter, Uniprot P08908, P14416, P28223, P31652, P34969, P35462, and P50406
DOI: 10.7270/q2416zfw
title: BindingDB Entry 50042917: Novel and highly potent histamine H3 receptor ligands. Part 3: an alcohol function to improve the pharmacokinetic profile.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Histamine H3 receptor, Uniprot P10635, P11712, and P58406
DOI: 10.7270/q25m6710
title: BindingDB Entry 50042398: Synthesis, molecular modeling and biological evaluation of 2-aminomethyl-5-(quinolin-2-yl)-1,3,4-oxadiazole-2(3H)-thione quinolone derivatives as novel anticancer agent.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q27h1kqs
title: BindingDB Entry 50040631: 4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands. Part 2: discovery of new agonists endowed with protective effect against experimental colitis.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q27s7q59
title: BindingDB Entry 50042916: Synthesis and biological evaluation of oleanolic acid derivatives as PTP1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q28p61mr
title: BindingDB Entry 50040174: Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway.

description: Small molecule binding data for protein DNA-dependent protein kinase, Dual specificity protein kinase CLK2, Dual specificty protein kinase CLK1, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 4-kinase beta (PIK4KB), and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, P48736, P49759, P49760, P78527, Q8NEB9, and Q9UBF8
DOI: 10.7270/q29888b0
title: BindingDB Entry 50042397: Microwave-assisted synthesis of pyrimido[4,5-b][1,6]naphthyridin-4(3H)-ones with potential antitumor activity.

description: Small molecule binding data for protein Mineralocorticoid receptor (MR), Uniprot P08235
DOI: 10.7270/q29w0gqk
title: BindingDB Entry 50041881: Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors.

description: Small molecule binding data for protein C-C motif chemokine 2, Rho-associated protein kinase, and Voltage-gated potassium channel, Uniprot O75116, P13500, Q12809, and Q13464
DOI: 10.7270/q2c82bd2
title: BindingDB Entry 50040630: Enantiomerically pure 1,3-dioxanes as highly selective NMDA ands1 receptor ligands.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2cj8fpx
title: BindingDB Entry 50041134: Synthesis and biological activity of carboxylic acid replacement analogues of the potent angiotensin converting enzyme inhibitor 5(S)-benzamido-4-oxo-6-phenylhexanoyl-L-proline.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821 and P47820
DOI: 10.7270/q2df6s86
title: BindingDB Entry 50040173: Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P07711, P07858, P08684, P10635, P11712, P25774, P33261, P43235, Q12809, and Q3ZKN1