cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2v40wk4
title: BindingDB Entry 50043012: Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2vm4ddf
title: BindingDB Entry 50040750: Identification of small molecule inhibitors of amyloidß-induced neuronal apoptosis acting through the imidazoline I(2) receptor.

description: Small molecule binding data for protein Imidazoline receptor 1 (I1R), Uniprot Q9Y2I1
DOI: 10.7270/q2x63p65
title: BindingDB Entry 50041978: Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q8CA95
DOI: 10.7270/q2z039bn
title: BindingDB Entry 50041239: Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374, P0ABQ4, and P16184
DOI: 10.7270/q2zg6tjh
title: BindingDB Entry 50042508: Design, synthesis and biological evaluation of sulfur-containing 1,1-bisphosphonic acids as antiparasitic agents.

description: Small molecule binding data for protein Farnesyl diphosphate synthase
DOI: 10.7270/q2zs2xx8
title: BindingDB Entry 50043011: Conformation constraint of anilides enabling the discovery of tricyclic lactams as potent MK2 non-ATP competitive inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, CaM kinase IV, Casein kinase I isoform delta, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin-like growth factor I receptor, Interleukin-1 receptor-associated kinase 4, MAP kinase ERK2, MAP kinase-activated protein kinase 2, Rho-associated protein kinase, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PLK3, Testis-specific serine/threonine-protein kinase 2, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot O14757, O14920, O60674, O75116, P08069, P08581, P28482, P31749, P36888, P48730, P49137, P51955, Q13188, Q16566, Q96PF2, Q9H4B4, and Q9NWZ3
DOI: 10.7270/q20z74jr
title: BindingDB Entry 50041985: Interaction between methotrexate and nonsteroidal anti-inflammatory drugs in organic anion transporter.

description: Small molecule binding data for protein Solute carrier family 22 member 6, Uniprot O35956
DOI: 10.7270/q21r6rq9
title: BindingDB Entry 50041246: Aminoacetyl moiety as a potential surrogate for diacylhydrazine group of SC-51089, a potent PGE2 antagonist, and its analogs.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP1 subtype (EP1), Uniprot P34995
DOI: 10.7270/q2348mjk
title: BindingDB Entry 50040756: Exploring the directionality of 5-substitutions in a new series of 5-alkylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine as a strategy to design novel human a(3) adenosine receptor antagonists.

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/q24q7w83
title: BindingDB Entry 50041984: Inhibitory effect of anti-diabetic agents on rat organic anion transporter rOAT1.

description: Small molecule binding data for protein Solute carrier family 22 member 6, Uniprot O35956
DOI: 10.7270/q25h7hc4
title: BindingDB Entry 50040260: Development of erlotinib derivatives as CIP2A-ablating agents independent of EGFR activity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q25x2b8z
title: BindingDB Entry 50042514: A novel class of oral direct renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, Cathepsin E, Pepsinogen C, and Renin, Uniprot P00797, P07339, P14091, P20142, P56817, and Q9Y5Z0
DOI: 10.7270/q2697509
title: BindingDB Entry 50043017: Evaluation of N-phenyl homopiperazine analogs as potential dopamine D3 receptor selective ligands.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416
DOI: 10.7270/q26w9c7j
title: BindingDB Entry 50040755: Aminopiperidine sulfonamide Cav2.2 channel inhibitors for the treatment of chronic pain.

description: Small molecule binding data for protein Calcium channel (Type L), Cytochrome P450 3A, Pregnane X receptor (PXR), and Voltage-gated calcium channel subunit alpha Cav2.2, Uniprot O75469, P08684, Q00975, and Q13936
DOI: 10.7270/q28c9xpf
title: BindingDB Entry 50043566: Polypharmacology - foe or friend?

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Histamine H1 receptor, Uniprot P14416 and P35367
DOI: 10.7270/q28g8n0t
title: BindingDB Entry 50041983: Distinct characteristics of organic cation transporters, OCT1 and OCT2, in the basolateral membrane of renal tubules.

description: Small molecule binding data for protein Adrenaline alpha1 and Adrenaline alpha2, Uniprot Q63089 and Q9R0W2
DOI: 10.7270/q2959jqk
title: BindingDB Entry 50041244: Nonlinear quantitative structure-activity relationship for the inhibition of dihydrofolate reductase by pyrimidines.

description: Small molecule binding data for protein Dihydrofolate reductase
DOI: 10.7270/q2988849
title: BindingDB Entry 50040259: Design, synthesis and evaluation of novel metalloproteinase inhibitors based on L-tyrosine scaffold.

description: Small molecule binding data for protein Collagenase and Histone deacetylase 8, Uniprot P08253 and Q9BY41
DOI: 10.7270/q29c6zwq
title: BindingDB Entry 50043558: TBA

description: Small molecule binding data for protein Anandamide amidohydrolase, Fatty-acid amide hydrolase 1 (FAAH), and Monoglyceride Lipase (MGL), Uniprot O00519, P97612, and Q99685
DOI: 10.7270/q29p32zt
title: BindingDB Entry 50042513: Exploring a new frontier in cancer treatment: targeting the ubiquitin and ubiquitin-like activating enzymes.

description: Small molecule binding data for protein NEDD8-activating enzyme E1 regulatory subunit, SUMO1 activating enzyme subunit 1, Ubiquitin-like modifier-activating enzyme 6, Ubiquitin-like modifier-activating enzyme 7, and Ubiquitin-like modifier-activating enzyme ATG7, Uniprot A0AVT1, O95352, P41226, Q13564, and Q9UBE0
DOI: 10.7270/q2b27wps
title: BindingDB Entry 50043016: The kinetic deuterium isotope effect as applied to metabolic deactivation of imatinib to the des-methyl metabolite, CGP74588.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519 and P11274
DOI: 10.7270/q2bp03xz
title: BindingDB Entry 50040754: Vascular endothelial growth factor (VEGF) receptors: drugs and new inhibitors.

description: Small molecule binding data for protein C-RAF, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Platelet-derived growth factor receptor beta, SRC, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P04049, P06239, P07949, P08581, P09619, P10721, P11362, P17948, P21802, P35916, P35968, and P36888
DOI: 10.7270/q2d79cq4
title: BindingDB Entry 50041982: Functional characteristics and membrane localization of rat multispecific organic cation transporters, OCT1 and OCT2, mediating tubular secretion of cationic drugs.

description: Small molecule binding data for protein Adrenaline alpha1 and Adrenaline alpha2, Uniprot Q63089 and Q9R0W2
DOI: 10.7270/q2ft8nfn
title: BindingDB Entry 50043015: The systematic structure-activity relationship to predict how flavones bind to human androgen receptor for their antagonistic activity.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2kk9d6t
title: BindingDB Entry 50043014: Design, synthesis and pharmacological characterization of analogs of 2-aminoethyl diphenylborinate (2-APB), a known store-operated calcium channel blocker, for inhibition of TRPV6-mediated calcium transport.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 6, Uniprot Q9H1D0
DOI: 10.7270/q2m32wwd
title: BindingDB Entry 50040752: Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, and Voltage-gated potassium channel, Uniprot Q06187, Q08881, and Q12809
DOI: 10.7270/q2ms3v12
title: BindingDB Entry 50041988: Human organic anion transporter 3 (hOAT3) can operate as an exchanger and mediate secretory urate flux.

description: Small molecule binding data for protein Solute carrier family 22 member 8, Uniprot Q8TCC7
DOI: 10.7270/q2ng4rqc
title: BindingDB Entry 50040264: Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, Histamine H1 receptor, Histamine receptor (H3), and Voltage-gated potassium channel, Uniprot P35348, P35367, P35368, Q12809, and Q9Y5N1
DOI: 10.7270/q2ng4rtq
title: BindingDB Entry 50041249: Genetic neural networks for quantitative structure-activity relationships: improvements and application of benzodiazepine affinity for benzodiazepine/GABAA receptors.

description: Small molecule binding data for protein Translocator protein, Uniprot P30536
DOI: 10.7270/q2np25vf
title: BindingDB Entry 50043563: TBA

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P36544
DOI: 10.7270/q2pz5b5r
title: BindingDB Entry 50042510: Acetylcholinesterase immobilized capillary reactors-tandem mass spectrometry: an on-flow tool for ligand screening.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2rj4kqx
title: BindingDB Entry 50041987: Effect of multidrug resistance-reversing agents on transporting activity of human canalicular multispecific organic anion transporter.

description: Small molecule binding data for protein Multidrug resistance-associated protein 2 (MRP2), Uniprot Q92887
DOI: 10.7270/q2s75hdn
title: BindingDB Entry 50040263: Selection, synthesis, and anti-inflammatory evaluation of the arylidene malonate derivatives as TLR4 signaling inhibitors.

description: Small molecule binding data for protein Toll-like receptor 4/MD-2/CD14, Uniprot Q9QUK6
DOI: 10.7270/q2s75hjf
title: BindingDB Entry 50041248: Synthesis, biological activity, and molecular modeling of selective 5-HT(2C/2B) receptor antagonists.

description: Small molecule binding data for protein Serotonin receptor 2a and 2b (5HT2A and 5HT2B) and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909 and P30994
DOI: 10.7270/q2sb4769
title: BindingDB Entry 50043562: TBA

description: Small molecule binding data for protein Enoyl-ACP Reductase (InhA), Uniprot P9WGR1
DOI: 10.7270/q2w66n2s
title: BindingDB Entry 50041986: Interaction and transport of thiazide diuretics, loop diuretics, and acetazolamide via rat renal organic anion transporter rOAT1.

description: Small molecule binding data for protein Solute carrier family 22 member 6, Uniprot O35956
DOI: 10.7270/q2x0684c
title: BindingDB Entry 50040262: Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: synthesis and SAR study as tyrosine kinase c-Met inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2x06885
title: BindingDB Entry 50041247: Synthesis and solution conformation of cyclo[RGDRGD]: a cyclic peptide with selectivity for the alpha V beta 3 receptor.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q2x34zws
title: BindingDB Entry 50043561: TBA

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2zc8417
title: BindingDB Entry 50040757: Synthesis and structure-affinity relationships of selective high-affinity 5-HT(4) receptor antagonists: application to the design of new potential single photon emission computed tomography tracers.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 4 (5-HT4), HTR4, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, and Serotonin receptor (2b and 2c), Uniprot O70528, P08908, P28221, P28222, P28223, P28335, P28566, P34969, P41595, P46098, P47898, P50406, and Q13639
DOI: 10.7270/q20r9qmc
title: BindingDB Entry 50041254: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Serotonin 1B/1D receptor, Serotonin 1d (5-HT1d) receptor, Serotonin 2a (5-HT2a) receptor, and Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor, Uniprot A5X5Y0, O95264, P08908, P28335, P28564, P46098, P79400, Q70Z44, Q75Z89, and Q8WXA8
DOI: 10.7270/q20v8f6b
title: BindingDB Entry 50043568: TBA

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q22808xd
title: BindingDB Entry 50042515: Development of¿ opioid receptor antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P33535, P34975, P35372, P41143, P41144, P41145, and P97266
DOI: 10.7270/q22n53nf
title: BindingDB Entry 50043018: Discovery of 3-phenyl-1H-5-pyrazolylamine derivatives containing a urea pharmacophore as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3).

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora and Tyrosine-protein kinase receptor FLT3, Uniprot O14965 and P36888
DOI: 10.7270/q23r0v48
title: BindingDB Entry 50041992: Interactions of human organic anion as well as cation transporters with indoxyl sulfate.

description: Small molecule binding data for protein Solute carrier family 22 member 11, Solute carrier family 22 member 6, and Solute carrier family 22 member 8, Uniprot Q4U2R8, Q8TCC7, and Q9NSA0
DOI: 10.7270/q24m95z3
title: BindingDB Entry 50043567: Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q27h1kvk
title: BindingDB Entry 50041991: Prodrugs of purine and pyrimidine analogues for the intestinal di/tri-peptide transporter PepT1: affinity for hPepT1 in Caco-2 cells, drug release in aqueous media and in vitro metabolism.

description: Small molecule binding data for protein Oligopeptide transporter small intestine isoform, Uniprot P46059
DOI: 10.7270/q2862hp3
title: BindingDB Entry 50041252: Folate-based inhibitors of thymidylate synthase: synthesis and antitumor activity of gamma-linked sterically hindered dipeptide analogues of 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583).

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q28916zm
title: BindingDB Entry 50040267: Curcumin is an inhibitor of calcium/calmodulin dependent protein kinase II.

description: Small molecule binding data for protein CAMK2A, Uniprot Q9UQM7
DOI: 10.7270/q29p32sk
title: BindingDB Entry 50040762: Design, synthesis, and biological evaluation of 17-cyclopropylmethyl-3,14ß-dihydroxy-4,5a-epoxy-6ß-[(4'-pyridyl)carboxamido]morphinan derivatives as peripheral selectiveµ opioid receptor Agents.

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/q2c82bk9
title: BindingDB Entry 50041990: Human neurons express the polyspecific cation transporter hOCT2, which translocates monoamine neurotransmitters, amantadine, and memantine.

description: Small molecule binding data for protein Solute carrier family 22 member 2, Uniprot O15244
DOI: 10.7270/q2cz38c2
title: BindingDB Entry 50041251: Structure-based design of novel, urea-containing FKBP12 inhibitors.

description: Small molecule binding data for protein Mammalian target of Rapamycin (mTORC1), Uniprot P62942
DOI: 10.7270/q2d21zqd
title: BindingDB Entry 50040266: Synthesis and CYP26A1 inhibitory activity of novel methyl 3-[4-(arylamino)phenyl]-3-(azole)-2,2-dimethylpropanoates.

description: Small molecule binding data for protein Cytochrome CYP26A1, Uniprot O43174
DOI: 10.7270/q2d50pdq
title: BindingDB Entry 50043565: A medicinal chemistry perspective for targeting histone H3 lysine-79 methyltransferase DOT1L.

description: Small molecule binding data for protein Histone H3-K79 methyltransferase (DOT1L), Histone-arginine methyltransferase CARM1, and Protein G9a (G9a), Uniprot Q86X55, Q8TEK3, and Q96KQ7
DOI: 10.7270/q2df6shb
title: BindingDB Entry 50042520: The effect of absolute configuration on activity, subtype selectivity (M3/M2) of 3a-acyloxy-6ß-acetoxyltropane derivatives as muscarinic M3 receptor antagonists.

description: Small molecule binding data for protein Muscarinic receptor M2 and M3, Uniprot P08483 and P10980
DOI: 10.7270/q2ff3tgg
title: BindingDB Entry 50040761: Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.

description: Small molecule binding data for protein Casein kinase I delta/epsilon and Casein kinase I isoform delta, Uniprot P48730 and P49674
DOI: 10.7270/q2gx4d16
title: BindingDB Entry 50043572: Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).

description: Small molecule binding data for protein Tyrosine-protein kinase ITK/TSK, Uniprot Q08881
DOI: 10.7270/q2h13391
title: BindingDB Entry 50041989: The dietary polyphenol ellagic acid is a potent inhibitor of hOAT1.

description: Small molecule binding data for protein Solute carrier family 22 member 6, Uniprot Q4U2R8
DOI: 10.7270/q2hq413s
title: BindingDB Entry 50041250: Bradykinin receptor antagonists containing N-substituted amino acids: in vitro and in vivo B(2) and B(1) receptor antagonist activity.

description: Small molecule binding data for protein BDKRB2 and Bradykinin B1 receptor, Uniprot P25023 and P46663
DOI: 10.7270/q2ht2qdc
title: BindingDB Entry 50040265: Discovery of potent inhibitors of receptor protein tyrosine phosphatase sigma through the structure-based virtual screening.

description: Small molecule binding data for protein Dual specificity protein phosphatase 4, PTPsigma-(Brain), Protein tyrosine phosphatase type IVA 1, and Protein-tyrosine phosphatase 4A3, Uniprot O75365, Q13115, and Q93096
DOI: 10.7270/q2hx1f44
title: BindingDB Entry 50043564: TBA

description: Small molecule binding data for protein Thymidine Phosphorylase (TP) and Uridine phosphorylase (UPase), Uniprot P19971 and Q16831
DOI: 10.7270/q2j67j72
title: BindingDB Entry 50042519: Selective inhibition of glycosyltransferases by bivalent imidazolium salts.

description: Small molecule binding data for protein β-1,4-Galactosyltransferase I (β4GalT), Beta-1,3-galactosyltransferase 1, and Beta-1,4-galactosyltransferase 1, Uniprot P08037, P15291, and Q9Y5Z6
DOI: 10.7270/q2k35vtx
title: BindingDB Entry 50040760: a-1-C-butyl-1,4-dideoxy-1,4-imino-l-arabinitol as a second-generation iminosugar-based orala-glucosidase inhibitor for improving postprandial hyperglycemia.

description: Small molecule binding data for protein β-galactosidase, Acidic alpha-glucosidase, Glucocerebrosidase (Acid beta-Glucosidase), Glucosylceramidase, Lactase-glycosylceramidase, Trehalase, Uncharacterized protein, and alpha-Glucosidase (α-Glucosidase), Uniprot P04062, P23739, Q02401, Q2KHZ8, Q58D55, and Q6P7A9
DOI: 10.7270/q2nz88z2
title: BindingDB Entry 50042518: 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanones as novel CCR1 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P32246, P33261, P51675, and Q12809
DOI: 10.7270/q2sq91q7
title: BindingDB Entry 50042517: Synthesis and biological evaluation of 5-nitropyrimidine analogs with azabicyclic substituents as GPR119 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Uniprot Q8TDV5
DOI: 10.7270/q2t43vhn
title: BindingDB Entry 50043020: Designing bifunctional NOP receptor-mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I.

description: Small molecule binding data for protein Nociceptin receptor, Uniprot P41146
DOI: 10.7270/q2tm7c82
title: BindingDB Entry 50040758: Variation of the net charge, lipophilicity, and side chain flexibility in Dmt(1)-DALDA: Effect on Opioid Activity and Biodistribution.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P35372, P41144, and P97266
DOI: 10.7270/q2w37xrd
title: BindingDB Entry 50043569: Scaffold hopping approach towards various AFQ-056 analogs as potent metabotropic glutamate receptor 5 negative allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q2xg9sg1
title: BindingDB Entry 50042516: Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2xw4m6m
title: BindingDB Entry 50043019: Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.

description: Small molecule binding data for protein Pyruvate kinase (PKM2), Uniprot P14618
DOI: 10.7270/q20003cs
title: BindingDB Entry 50041993: Molecular identification of a novel carnitine transporter specific to human testis. Insights into the mechanism of carnitine recognition.

description: Small molecule binding data for protein Solute carrier family 22 member 16, Uniprot Q86VW1