cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2ht2qm2
title: BindingDB Entry 50042403: Systematic exploration of dual-acting modulators from a combined medicinal chemistry and biology perspective.

description: Small molecule binding data for protein Mu-type opioid receptor and Neurokinin 1 receptor, Uniprot P25103 and P35372
DOI: 10.7270/q2m046tz
title: BindingDB Entry 50042921: Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema: part 2.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO) and Vascular adhesion protein 1 (VAP-1), Uniprot O08590, O35078, P14920, and Q16853
DOI: 10.7270/q2m32wz9
title: BindingDB Entry 50041140: In vitro inhibition of estrogen sulfoconjugation by some 2- and 4-substituted estra-1,3,5(10)-trien-17 beta-ols1a.

description: Small molecule binding data for protein Estrogen sulfotransferase
DOI: 10.7270/q2n017mv
title: BindingDB Entry 50040179: A fluorescent reporter of ATP binding-competent receptor kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P04626
DOI: 10.7270/q2nk3gbs
title: BindingDB Entry 50042402: Tuning the preference of thiodigalactoside- and lactosamine-based ligands to galectin-3 over galectin-1.

description: Small molecule binding data for protein Galectin-1 and Galectin-3, Uniprot P09382 and P17931
DOI: 10.7270/q2qf8v00
title: BindingDB Entry 50040635: The discovery of CCR3/H1 dual antagonists with reduced hERG risk.

description: Small molecule binding data for protein C-C chemokine receptor type 3, Histamine H1 receptor, and Voltage-gated potassium channel, Uniprot P35367, P51677, and Q12809
DOI: 10.7270/q2qr4zg3
title: BindingDB Entry 50042920: Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2qv3npq
title: BindingDB Entry 50041139: Inhibitors of dihydropteroate synthase: substituent effects in the side-chain aromatic ring of 6-[[3-(aryloxy)propyl]amino]-5-nitrosoisocytosines and synthesis and inhibitory potency of bridged 5-nitrosoisocytosine-p-aminobenzoic acid analogues.

description: Small molecule binding data for protein Bacterial dihydropteroate synthase, Uniprot P0AC13
DOI: 10.7270/q2rr20b8
title: BindingDB Entry 50040178: N-1-Alkyl-2-oxo-2-aryl amides as novel antagonists of the TRPA1 receptor.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2sb472h
title: BindingDB Entry 50042401: Synthesis of (E)-8-(3-chlorostyryl)caffeine analogues leading to 9-deazaxanthine derivatives as dual A(2A) antagonists/MAO-B inhibitors.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A2a, Amine oxidase [flavin-containing] A, and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, P29274, and P30543
DOI: 10.7270/q2sx6fg0
title: BindingDB Entry 50041885: Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE).

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2v69kq9
title: BindingDB Entry 50040634: Structure-based discovery of BM-957 as a potent small-molecule inhibitor of Bcl-2 and Bcl-xL capable of achieving complete tumor regression.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Uniprot P10415
DOI: 10.7270/q2vh5q6t
title: BindingDB Entry 50042919: Design, synthesis and biological activities of Nilotinib derivates as antitumor agents.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519 and P11274
DOI: 10.7270/q2vm4dfw
title: BindingDB Entry 50041138: Synthesis and evaluation of 4-(substituted thio)-4-androstene-3,17-dione derivatives as potential aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2wh2r32
title: BindingDB Entry 50040177: Discovery of novel 2-aminopyridine-3-carboxamides as c-Met kinase inhibitors.

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MER intracellular domain/EGFR extracellular domain chimera, Macrophage-stimulating protein receptor, Receptor tyrosine-protein kinase erbB-4 (HER4), Tyrosine-protein kinase ABL1, Tyrosine-protein kinase receptor TYRO3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00519, P00533, P04626, P07949, P08581, P11362, P17948, P29317, P30530, P35968, Q04912, Q06418, Q12866, and Q15303
DOI: 10.7270/q2x34zsf
title: BindingDB Entry 50042400: Tetrahydropyrroloquinolinone type dual inhibitors of aromatase/aldosterone synthase as a novel strategy for breast cancer patients with elevated cardiovascular risks.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P11511, P15538, and P19099
DOI: 10.7270/q2xp766q
title: BindingDB Entry 50041884: QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives with human adenosine A(3) receptor subtype.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q20v8f30
title: BindingDB Entry 50042407: SAR analysis of novel non-peptidic NPBWR1 (GPR7) antagonists.

description: Small molecule binding data for protein neuropeptides B/W receptor 1, Uniprot P48145
DOI: 10.7270/q22r3sss
title: BindingDB Entry 50040640: Fragment-based discovery of bromodomain inhibitors part 2: optimization of phenylisoxazole sulfonamides.

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot O60885, P25440, and Q15059
DOI: 10.7270/q2319x82
title: BindingDB Entry 50042925: Design, synthesis and evaluation of tacrine-flurbiprofen-nitrate trihybrids as novel anti-Alzheimer's disease agents.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2348mk1
title: BindingDB Entry 50041144: Thiazole-4-carboxamide adenine dinucleotide (TAD). Analogues stable to phosphodiesterase hydrolysis.

description: Small molecule binding data for protein Inosine-5'-monophosphate dehydrogenase 2, Uniprot P24547
DOI: 10.7270/q24m95vr
title: BindingDB Entry 50042406: Discovery of coumarin-monastrol hybrid as potential antibreast tumor-specific agent.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q26h4jjz
title: BindingDB Entry 50040639: Recent results in protein kinase inhibition for tropical diseases.

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, CGMP-dependent protein kinase, Calcium-dependent protein kinase 4, Cdc2-related kinase, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 6, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P06493, P24941, P42336, P42338, P42345, P48736, P50613, Q00534, and Q8IBS5
DOI: 10.7270/q26t0p1g
title: BindingDB Entry 50042924: Synthesis of (S)-FTY720 vinylphosphonate analogues and evaluation of their potential as sphingosine kinase 1 inhibitors and activators.

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1), Uniprot Q9NYA1
DOI: 10.7270/q26w9c9f
title: BindingDB Entry 50041143: Inhibition of cyclic nucleotide phosphodiesterases from pig coronary artery by benzo-separated analogues of 3-isobutyl-1-methylxanthine.

description: Small molecule binding data for protein cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot O00408
DOI: 10.7270/q27s7ptd
title: BindingDB Entry 50040182: Synthesis and structure-activity relationship of (1-halo-2-naphthyl) carbamate-based inhibitors of KIAA1363 (NCEH1/AADACL1).

description: Small molecule binding data for protein Neutral cholesterol ester hydrolase 1, Uniprot Q6PIU2
DOI: 10.7270/q28c9xjn
title: BindingDB Entry 50042405: An unprecedented reversible mode of action ofß-lactams for the inhibition of human fatty acid amide hydrolase (hFAAH).

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH) and Monoglyceride Lipase (MGL), Uniprot O00519 and Q99685
DOI: 10.7270/q28w3fjr
title: BindingDB Entry 50041889: Discovery of new anti-depressants from structurally novel 5-HT3 receptor antagonists: design, synthesis and pharmacological evaluation of 3-ethoxyquinoxalin-2-carboxamides.

description: Small molecule binding data for protein HTR3A, Uniprot O70212
DOI: 10.7270/q2b8598p
title: BindingDB Entry 50040638: Synthesis and biological activities of polyquinoline derivatives: new Bcl-2 family protein modulators.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-2-related protein A1, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, Q07820, and Q16548
DOI: 10.7270/q2bk1drs
title: BindingDB Entry 50042923: Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2dn468g
title: BindingDB Entry 50041888: Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors.

description: Small molecule binding data for protein Protein kinase C delta type, Protein kinase C, epsilon, Rho-associated protein kinase, Serine/threonine-protein kinase D1, Serine/threonine-protein kinase PRKX, and Voltage-gated potassium channel, Uniprot O75116, P51817, Q02156, Q05655, Q12809, Q13464, and Q15139
DOI: 10.7270/q2g161zj
title: BindingDB Entry 50040637: Identification and characterization of carprofen as a multitarget fatty acid amide hydrolase/cyclooxygenase inhibitor.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cyclooxygenase, Prostaglandin G/H synthase (Cyclooxygenase-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P35354, P79208, and P97612
DOI: 10.7270/q2jd4z18
title: BindingDB Entry 50041887: New positive allosteric modulators of the metabotropic glutamate receptor 2 (mGluR2): identification and synthesis of N-propyl-8-chloro-6-substituted isoquinolones.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q2kp8393
title: BindingDB Entry 50040636: Design and synthesis of inhibitors of Plasmodium falciparum N-myristoyltransferase, a promising target for antimalarial drug discovery.

description: Small molecule binding data for protein Glycylpeptide N-tetradecanoyltransferase and Myristoyl-CoA:protein N-myristoyltransferase (Nmt), Uniprot P30419 and Q8ILW6
DOI: 10.7270/q2mk6f5z
title: BindingDB Entry 50042410: Discovery of a potent and selective free fatty acid receptor 1 agonist with low lipophilicity and high oral bioavailability.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2p55prk
title: BindingDB Entry 50041886: Self-organizing molecular field analysis on humanß-secretase nonpeptide inhibitors: 5, 5-disubstituted aminohydantoins.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2rb75w8
title: BindingDB Entry 50042409: Development of new cyclic plasmin inhibitors with excellent potency and selectivity.

description: Small molecule binding data for protein Coagulation Factor VIII, Coagulation factor IX and X, Coagulation factor X/antithrombin III, Coagulation factor XI, Complement C1r subcomponent, Complement C1s, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Factor XIIa, Kallikrein-1 (KLK1), Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin, Trypsin-1, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00451, P00734, P00736, P00740, P00742, P00747, P00748, P00749, P00750, P00761, P03951, P03952, P04070, P05177, P06870, P07477, P08684, P09871, P10635, P11712, and P33261
DOI: 10.7270/q2tm7c9h
title: BindingDB Entry 50041146: (5Z)-7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-cis-5-yl)heptenoi c acid: a specific thromboxane A2 receptor antagonist.

description: Small molecule binding data for protein Prostanoid TP receptor and Thromboxane A2 receptor, Uniprot P21731 and P34978
DOI: 10.7270/q2w37xmm
title: BindingDB Entry 50042408: Synthesis and biological evaluation of 4-(aminomethyl)-1-hydroxypyrazole analogues of muscimol as¿-aminobutyric acid(a) receptor agonists.

description: Small molecule binding data for protein GABA-C receptor, Uniprot P24046
DOI: 10.7270/q2z0398r
title: BindingDB Entry 50040641: Update on the development of antagonists of chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2). From lead optimization to clinical proof-of-concept in asthma and allergic rhinitis.

description: Small molecule binding data for protein Aldose reductase, G protein-coupled receptor 44, Prostanoid TP receptor, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P07943, P21731, P31645, and Q9Y5Y4
DOI: 10.7270/q20866dh
title: BindingDB Entry 50040184: Synthesis and biological evaluation of tyrosine modified analogues of thea4ß7 integrin inhibitor biotin-R8ERY.

description: Small molecule binding data for protein Integrin alpha-4/beta-7, Uniprot P26011 and Q00651
DOI: 10.7270/q21g0njs
title: BindingDB Entry 50041891: Synthesis and SAR of 3-arylsulfonyl-pyrazolo[1,5-a]pyrimidines as potent serotonin 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q23n24qx
title: BindingDB Entry 50042414: Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an octahydropyrrolo[1,2-a]pyrazine scaffold as a novel proline mimetic.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170 and Q13489
DOI: 10.7270/q2416z4v
title: BindingDB Entry 50040183: Highly potent aminopyridines as Syk kinase inhibitors.

description: Small molecule binding data for protein Lysyl-tRNA synthetase, Uniprot Q15046
DOI: 10.7270/q2571d8h
title: BindingDB Entry 50041890: Discovery of a potent series of non-steroidal nona-trifluoromethyl carbinol glucocorticoid receptor agonists with reduced lipophilicity.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q25h7hdk
title: BindingDB Entry 50040647: Medicinal chemistry of A3 adenosine receptor modulators: pharmacological activities and therapeutic implications.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P28647, P29274, P30542, and P30543
DOI: 10.7270/q27d2wgq
title: BindingDB Entry 50042413: A novel series of N-(azetidin-3-yl)-2-(heteroarylamino)acetamide CCR2 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 2 and Voltage-gated potassium channel, Uniprot O95950, P41597, and Q12809
DOI: 10.7270/q298885r
title: BindingDB Entry 50040646: Design and synthesis of potent, orally efficacious hydroxyethylamine derivedß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P56817, and Q12809
DOI: 10.7270/q29p32vg
title: BindingDB Entry 50041150: Role of the (acyloxy)methyl moiety in eliciting the adrenergic beta-blocking activity of 3-(acyloxy)propanolamines.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot Q8K4Z4
DOI: 10.7270/q2c53n50
title: BindingDB Entry 50042412: Discovery of novel 1,4-dihydropyridine-based PDE4 inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q07343 and Q08499
DOI: 10.7270/q2cf9r6q
title: BindingDB Entry 50040181: 2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1¿) inhibitors.

description: Small molecule binding data for protein Casein kinase I, Casein kinase I isoform alpha (CK1 Alpha), Casein kinase I isoform delta, and Glycogen synthase kinase-3, Uniprot P48729, P48730, P49841, and P78368
DOI: 10.7270/q2f190w2
title: BindingDB Entry 50040645: Design and preparation of a potent series of hydroxyethylamine containingß-secretase inhibitors that demonstrate robust reduction of centralß-amyloid.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2fb54b4
title: BindingDB Entry 50042930: Aminopropylindenes derived from Grundmann's ketone as a novel chemotype of oxidosqualene cyclase inhibitors.

description: Small molecule binding data for protein Cycloartenol synthase and Lanosterol synthase, Uniprot P38604, P38605, P48449, and Q96WJ0
DOI: 10.7270/q2gt5pgp
title: BindingDB Entry 50042411: Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Uniprot Q05397
DOI: 10.7270/q2js9rkn
title: BindingDB Entry 50040644: Identification of a novel series of BET family bromodomain inhibitors: binding mode and profile of I-BET151 (GSK1210151A).

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A, and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot O60885, P08684, P11712, P25440, P33261, Q07343, and Q15059
DOI: 10.7270/q2k35w11
title: BindingDB Entry 50042929: A novel series of histamine H4 receptor antagonists based on the pyrido[3,2-d]pyrimidine scaffold: comparison of hERG binding and target residence time with PF-3893787.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 Receptor, and Histamine H4 Receptor, Uniprot P25021, P35367, Q91ZY1, and Q91ZY2
DOI: 10.7270/q2k64k7n
title: BindingDB Entry 50041148: 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 8. The 3,4,5-triethyl isostere of trimethoprim. A study of specificity.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374, P00378, Q27713, and Q920D2
DOI: 10.7270/q2pg1svr
title: BindingDB Entry 50040643: Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks.

description: Small molecule binding data for protein Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, and Cytochrome P450 3A, Uniprot P08684, P10632, P11712, P20813, and P33261
DOI: 10.7270/q2pr7xc5
title: BindingDB Entry 50042928: Virtual medicinal chemistry: in silico pre-docking functional group transformation for discovery of novel inhibitors of botulinum toxin serotype A light chain.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q2pv6mks
title: BindingDB Entry 50041147: Substituted arylmethyl phenyl ethers. 1. A novel series of 5-lipoxygenase inhibitors and leukotriene antagonists.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q2qr4z6h
title: BindingDB Entry 50040186: Phosphodiesterase inhibitors. Part 4: design, synthesis and structure-activity relationships of dual PDE3/4-inhibitory fused bicyclic heteroaromatic-4,4-dimethylpyrazolones.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3) and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343 and Q14432
DOI: 10.7270/q2rx9dbm
title: BindingDB Entry 50041894: Discovery of novel cyanamide-based inhibitors of cathepsin C.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, and Dipeptidyl peptidase I, Uniprot P07711, P07858, P25774, P43235, and P53634
DOI: 10.7270/q2t72jj1
title: BindingDB Entry 50040642: Radiosynthesis of PET radiotracer as a prodrug for imaging group II metabotropic glutamate receptors in vivo.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 3 (mGlu3), and metabotropic glutamate 1c, Uniprot P31422, Q14416, and Q14832
DOI: 10.7270/q2th8p2f
title: BindingDB Entry 50042927: Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11712, and P33261
DOI: 10.7270/q2vh5pxt
title: BindingDB Entry 50040185: Discovery and optimization of a novel series of GPR142 agonists for the treatment of type 2 diabetes mellitus.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Probable G-protein coupled receptor 142, Uniprot P08684, P10635, P11712, Q7TQN9, and Q7Z601
DOI: 10.7270/q2wq052w
title: BindingDB Entry 50041893: Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2z89dsr
title: BindingDB Entry 50042926: Structure-activity relationship of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole analogues as 5-HT(6) receptor agonists.

description: Small molecule binding data for protein HTR4, Uniprot O70528
DOI: 10.7270/q2zc842p
title: BindingDB Entry 50041145: Studies on the active molecular species of the H2 receptor antagonists cimetidine and mifentidine.

description: Small molecule binding data for protein Histamine H2 receptor, Uniprot P47747
DOI: 10.7270/q2zw1n7n
title: BindingDB Entry 50042415: Targeting the binding function 3 (BF3) site of the androgen receptor through virtual screening. 2. development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole derivatives.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q21r6rnd
title: BindingDB Entry 50040648: Discovery and optimization of a novel spiropyrrolidine inhibitor ofß-secretase (BACE1) through fragment-based drug design.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2222w47
title: BindingDB Entry 50042933: Triazolothiadiazoles and triazolothiadiazines--biologically attractive scaffolds.

description: Small molecule binding data for protein Intestinal alkaline phosphatase (IAP), Uniprot P19111