cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gq6zgb
title: BindingDB Entry 50037064: Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase.

description: Small molecule binding data for protein Thymidine kinase, cytosolic, Uniprot P04183
DOI: 10.7270/q2hh6kpq
title: BindingDB Entry 50036240: 3,4-Dihydro-3-amino-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 1. Synthesis and structure--activity relationship studies.

description: Small molecule binding data for protein Cerebral cortex alpha adrenergic receptor, DRD1, DRD2, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, Serotonin 2a (5-HT2a) receptor, and adrenergic Alpha2, Uniprot P18130, P19327, P20288, P28564, Q28838, Q75Z89, and Q95136
DOI: 10.7270/q2k938jm
title: BindingDB Entry 50039748: Design, synthesis, and biological evaluation of novel conformationally constrained inhibitors targeting epidermal growth factor receptor threonine7¿°¿ methionine7¿° mutant.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2kw5gw6
title: BindingDB Entry 50038007: Molecular dynamics simulation of the P2Y14 receptor. Ligand docking and identification of a putative binding site of the distal hexose moiety.

description: Small molecule binding data for protein Purinergic receptor P2Y14, Uniprot Q15391
DOI: 10.7270/q2m909m3
title: BindingDB Entry 50038914: Pyrazole acids as niacin receptor agonists for the treatment of dyslipidemia.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q2n58n1k
title: BindingDB Entry 50036239: Newly discovered stereochemical requirements in the side-chain conformation of delta opioid agonists for recognizing opioid delta receptors.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P32300 and P97266
DOI: 10.7270/q2q2418b
title: BindingDB Entry 50039747: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309
DOI: 10.7270/q2q52qbs
title: BindingDB Entry 50037070: 2,5'-Disubstituted adenosine derivatives: evaluation of selectivity and efficacy for the adenosine A(1), A(2A), and A(3) receptor.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, and P30543
DOI: 10.7270/q2qn67mx
title: BindingDB Entry 50038006: Novel nucleotide triphosphates as potent P2Y2 agonists with enhanced stability over UTP.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Purinergic receptor P2Y2, and Pyrimidinergic receptor P2Y4, Uniprot P41231, P47900, and P51582
DOI: 10.7270/q2r212bt
title: BindingDB Entry 50038913: Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the pathogenic yeast Candida glabrata with anions.

description: Small molecule binding data for protein Carbonic anhydrase
DOI: 10.7270/q2rx9cq4
title: BindingDB Entry 50036238: 2-Alkynyl derivatives of adenosine-5'-N-ethyluronamide: selective A2 adenosine receptor agonists with potent inhibitory activity on platelet aggregation.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2tt4s0c
title: BindingDB Entry 50039746: Fused piperidines as a novel class of potent and orally available transient receptor potential melastatin type 8 (TRPM8) antagonists.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Uniprot Q8R455
DOI: 10.7270/q2tx3g26
title: BindingDB Entry 50037069: Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.

description: Small molecule binding data for protein DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Histamine H1 receptor, Muscarinic acetylcholine receptor M1, and Serotonin (5-HT) receptor, Uniprot P08482, P14842, P18901, P19020, P31390, and P61169
DOI: 10.7270/q2v988xx
title: BindingDB Entry 50038005: Novel poly(ADP-ribose) polymerase-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2vt1t1d
title: BindingDB Entry 50038912: 4-(Phenylsulfonamidomethyl)benzamides as potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1 with efficacy in diabetic ob/ob mice.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2), 11-beta-hydroxysteroid dehydrogenase 1, and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845, P50172, P51661, and P80365
DOI: 10.7270/q2w95b0t
title: BindingDB Entry 50037997: Discovery of a novel warhead against beta-secretase through fragment-based lead generation.

description: Small molecule binding data for protein Beta-secretase 1 and Endothiapepsin, Uniprot P11838 and P56817
DOI: 10.7270/q2wq04dz
title: BindingDB Entry 50036237: Inhibitors of acyl-CoA:cholesterol acyltransferase (ACAT). 7. Development of a series of substituted N-phenyl-N'-[(1-phenylcyclopentyl)methyl]ureas with enhanced hypocholesterolemic activity.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q2zk5hqp
title: BindingDB Entry 50039745: Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P08581 and P35968
DOI: 10.7270/q2zp46tz
title: BindingDB Entry 50037068: Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, and Q95323
DOI: 10.7270/q22b9020
title: BindingDB Entry 50039752: Discovery of 1,4-disubstituted 3-cyano-2-pyridones: a new class of positive allosteric modulators of the metabotropic glutamate 2 receptor.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q22f7p5w
title: BindingDB Entry 50037075: 6-Aryl-1,4-dihydro-benzo[d][1,3]oxazin- 2-ones: a novel class of potent, selective, and orally active nonsteroidal progesterone receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q22v2gxh
title: BindingDB Entry 50038011: Challenges in the development of mGluR5 positive allosteric modulators: the discovery of CPPHA.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q23779bt
title: BindingDB Entry 50036251: Studies on neurokinin antagonists. 4. Synthesis and structure-activity relationships of novel dipeptide substance P antagonists: N2-[(4R)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl]-N- methyl-N-(phenylmethyl)-3-(2-naphthyl)-L-alaninamide and its related compounds.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P30547
DOI: 10.7270/q23779nv
title: BindingDB Entry 50038919: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.

description: Small molecule binding data for protein Beta-secretase 1 and Cathepsin D, Uniprot P07339 and P56817
DOI: 10.7270/q2474bg6
title: BindingDB Entry 50036243: New thiol inhibitors of neutral endopeptidase EC 3.4.24.11: synthesis and enzyme active-site recognition.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Neprilysin, and Thermolysin, Uniprot P00800, P08049, and P12821
DOI: 10.7270/q2668dxn
title: BindingDB Entry 50037074: 4'-Arylpyrrolomorphinans: effect of a pyrrolo-N-benzyl substituent in enhancing delta-opioid antagonist activity.

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/q26m37n7
title: BindingDB Entry 50038010: A molecular modeling analysis of novel non-hydroxamate inhibitors of TACE.

description: Small molecule binding data for protein ADAM17, Uniprot O77636
DOI: 10.7270/q270822j
title: BindingDB Entry 50036250: New potent prolyl endopeptidase inhibitors: synthesis and structure-activity relationships of indan and tetralin derivatives and their analogues.

description: Small molecule binding data for protein Endopeptidase prolyl oligopeptidase (PREP), Uniprot P48147
DOI: 10.7270/q29c6z76
title: BindingDB Entry 50038017: Novel selective human mitochondrial kinase inhibitors: design, synthesis and enzymatic activity.

description: Small molecule binding data for protein Deoxyguanosine kinase, mitochondrial, Deoxynucleoside kinase, Diacylglycerol kinase 1, Thymidine kinase, Thymidine kinase, cytosolic, and Thymidine kinase, mitochondrial, Uniprot O00142, P04183, P09250, Q01583, Q16854, and Q9XZT6
DOI: 10.7270/q29s1rzc
title: BindingDB Entry 50038925: Synthesis of uracil nucleotide analogs with a modified, acyclic ribose moiety as P2Y(2) receptor antagonists.

description: Small molecule binding data for protein Purinergic receptor P2Y2, Uniprot P35383
DOI: 10.7270/q29w0ghw
title: BindingDB Entry 50039750: Synthesis, biological evaluation, and molecular modeling of natural and unnatural flavonoidal alkaloids, inhibitors of kinases.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual specificity protein kinase CLK1, and Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, Uniprot P22518, Q00535, Q15078, and Q63470
DOI: 10.7270/q29z95n2
title: BindingDB Entry 50037073: Design, synthesis, and pharmacological evaluation of new farnesyl protein transferase inhibitors.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT), Uniprot P49354, P49356, and P53609
DOI: 10.7270/q2br8stm
title: BindingDB Entry 50036249: Novel spirosuccinimide aldose reductase inhibitors derived from isoquinoline-1,3-diones: 2-[(4-bromo-2-fluorophenyl)methyl]-6- fluorospiro[isoquinoline-4(1H),3'-pyrrolidine]-1,2',3,5'(2H)-tetrone and congeners. 1.

description: Small molecule binding data for protein Aldose reductase (ALR2) and Aldose reductase (AR), Uniprot P15121 and P16116
DOI: 10.7270/q2br8t3m
title: BindingDB Entry 50038916: Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.

description: Small molecule binding data for protein Casein kinase II alpha (prime), Cyclic AMP-dependent protein kinase (PKA), and Myosin light chain kinase, smooth muscle, Uniprot P11799, P19784, P68400, and Q95J97
DOI: 10.7270/q2dn462s
title: BindingDB Entry 50039757: Fused bicycles as arylketone bioisosteres leading to potent, orally active thiadiazole H3 antagonists.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot P58406 and Q9Y5N1
DOI: 10.7270/q2fq9xcd
title: BindingDB Entry 50037072: Aldisine alkaloids from the Philippine sponge Stylissa massa are potent inhibitors of mitogen-activated protein kinase kinase-1 (MEK-1).

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1 and MAP kinase ERK2, Uniprot P28482 and Q02750
DOI: 10.7270/q2gh9jm7
title: BindingDB Entry 50036248: 3-(2-(3-Pyridinyl)thiazolidin-4-oyl)indoles, a novel series of platelet activating factor antagonists.

description: Small molecule binding data for protein Platelet activating factor receptor, Uniprot P21556
DOI: 10.7270/q2jw8fqc
title: BindingDB Entry 50038015: Structure-based design of benzylamino-acridine compounds as G-quadruplex DNA telomere targeting agents.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2k938gq
title: BindingDB Entry 50038923: Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2kh0p27
title: BindingDB Entry 50037071: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Dopamine receptor D2L/neurotensin receptor NTS1, Serotonin (5-HT) receptor, and Voltage-gated potassium channel, Uniprot P14416, P14842, P28223, P28335, and Q12809
DOI: 10.7270/q2m90992
title: BindingDB Entry 50036247: The discovery of an unusually selective and novel cocaine analog: difluoropine. Synthesis and inhibition of binding at cocaine recognition sites.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent dopamine transporter, Uniprot P31645 and Q01959
DOI: 10.7270/q2p2704z
title: BindingDB Entry 50039755: Design and synthesis of cannabinoid receptor 1 antagonists for peripheral selectivity.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2pn96gj
title: BindingDB Entry 50038014: Discovery of novel phosphorus-containing steroids as selective glucocorticoid receptor antagonist.

description: Small molecule binding data for protein Glucocorticoid receptor and Progesterone receptor, Uniprot P04150 and P06401
DOI: 10.7270/q2q2416f
title: BindingDB Entry 50038922: Practical synthesis of bredemolic acid, a natural inhibitor of glycogen phosphorylase.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q2qz2bmr
title: BindingDB Entry 50036246: Novel (4-phenylpiperidinyl)- and (4-phenylpiperazinyl)alkyl-spaced esters of 1-phenylcyclopentanecarboxylic acids as potent sigma-selective compounds.

description: Small molecule binding data for protein DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Muscarinic acetylcholine receptor M1, Muscarinic receptor M2 and M3, OPIATE Sigma, and Sigma, Uniprot P08482, P10980, P18901, P61169, Q99720, and Q9R0C9
DOI: 10.7270/q2st7qvk
title: BindingDB Entry 50039754: Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1 and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519 and P12931
DOI: 10.7270/q2td9z5f
title: BindingDB Entry 50038013: Novel 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)methylbenzofuran derivatives as selective alpha(2C)-adrenergic receptor antagonists.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, and Alpha-2C adrenergic receptor, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q2vq3391
title: BindingDB Entry 50036245: Approaches toward selective inhibition of nitric oxide synthase.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial and Nitric Oxide Synthase, inducible, Uniprot P29473 and P29477
DOI: 10.7270/q2xk8gk9
title: BindingDB Entry 50039753: (Z)-2-(2-bromophenyl)-3-{[4-(1-methyl-piperazine)amino]phenyl}acrylonitrile (DG172): an orally bioavailable PPARß/d-selective ligand with inverse agonistic properties.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor delta, Uniprot P35396
DOI: 10.7270/q2xp75n4
title: BindingDB Entry 50037076: Ethyl (3S,4aR,6S,8aR)-6-(4-ethoxycar- bonylimidazol-1-ylmethyl)decahydroiso-quinoline-3-carboxylic ester: a prodrug of a GluR5 kainate receptor antagonist active in two animal models of acute migraine.

description: Small molecule binding data for protein GRIA1, GRIA2, Glutamate receptor ionotropic AMPA, and Grik2, Uniprot P42261, P42262, P42263, P48058, and Q13002
DOI: 10.7270/q2z320gc
title: BindingDB Entry 50038012: Comparison of N,N'-diarylsquaramides and N,N'-diarylureas as antagonists of the CXCR2 chemokine receptor.

description: Small molecule binding data for protein Interleukin-8 receptors, CXCR2, Uniprot P25025
DOI: 10.7270/q2zk5hmb
title: BindingDB Entry 50038920: Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction.

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/q21c1xwx
title: BindingDB Entry 50039760: Reexamining hydroxamate inhibitors of botulinum neurotoxin serotype A: extending towards theß-exosite.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q21g0n0m
title: BindingDB Entry 50037083: Synthesis and pharmacological evaluation of 1-[(1,2-diphenyl-1H-4-imidazolyl)methyl]-4-phenylpiperazines with clozapine-like mixed activities at dopamine D(2), serotonin, and GABA(A) receptors.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P14842, P19327, and P61169
DOI: 10.7270/q21v5fs4
title: BindingDB Entry 50038019: Synthesis, biological evaluation and structural determination of beta-aminoacyl-containing cyclic hydrazine derivatives as dipeptidyl peptidase IV (DPP-IV) inhibitors.

description: Small molecule binding data for protein Aminopeptidase N, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Endopeptidase prolyl oligopeptidase (PREP), Uniprot P15144, P22411, P27487, P48147, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q228088w
title: BindingDB Entry 50036260: 6-Azasteroids: structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1) and Steroid 5-alpha-reductase, Uniprot P18405 and P31213
DOI: 10.7270/q22b8zzv
title: BindingDB Entry 50038928: 'Click' D(1) receptor agonists with a 5-HT(1A) receptor pharmacophore producing D(2) receptor activity.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, and P21728
DOI: 10.7270/q2542ph9
title: BindingDB Entry 50038935: Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Receptor tyrosine-protein kinase erbB-4 (HER4), and Voltage-gated potassium channel, Uniprot P00533, P04626, P05177, P08684, P10635, P11712, P33261, Q12809, and Q15303
DOI: 10.7270/q2542pmn
title: BindingDB Entry 50039759: Discovery of a novel melanin concentrating hormone receptor 1 (MCHR1) antagonist with reduced hERG inhibition.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, GPR145, GPR24, Melanin-concentrating hormone receptor, Melanin-concentrating hormone receptor 1, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M2, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P08172, P08908, P08913, P14416, P18825, P20309, P21728, P23975, P28223, P28335, P31645, P35372, Q12809, Q4W594, Q8MJ89, Q969V1, and Q99705
DOI: 10.7270/q2571cqx
title: BindingDB Entry 50037082: Cyclosporins: structure-activity relationships for the inhibition of the human FPR1 formylpeptide receptor.

description: Small molecule binding data for protein fMet-Leu-Phe receptor 1/2, Uniprot P21462
DOI: 10.7270/q25m66hv
title: BindingDB Entry 50038018: Modeling of human ghrelin receptor (hGHS-R1a) in its close state and validation by molecular docking.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q26110zr
title: BindingDB Entry 50036259: A structure-activity relationship study of benzylic modifications of 4-[1-(1-naphthyl)ethyl]-1H-imidazoles on alpha 1- and alpha 2-adrenergic receptors.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Uniprot P08913
DOI: 10.7270/q2611186
title: BindingDB Entry 50038927: Synthesis and structure-activity relationship of 3beta-(4-alkylthio, -methylsulfinyl, and -methylsulfonylphenyl)tropane and 3beta-(4-alkylthiophenyl)nortropane derivatives for monoamine transporters.

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/q27w6d74
title: BindingDB Entry 50039766: Use of libraries to access new chemical space: applications to CRTH2.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q28c9x2c
title: BindingDB Entry 50038025: Derivatives of oxoisoaporphine alkaloids: a novel class of selective acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q28s4qvf
title: BindingDB Entry 50038934: Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5 and Metabotropic glutamate receptor 6, Uniprot O15303 and P41594
DOI: 10.7270/q28w3fb2
title: BindingDB Entry 50039758: Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q29024hj
title: BindingDB Entry 50037081: Cyclosporins: structure-activity relationships for the inhibition of the human MDR1 P-glycoprotein ABC transporter.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q29s1rps
title: BindingDB Entry 50036258: Novel 1-phenylcycloalkanecarboxylic acid derivatives are potent and selective sigma 1 ligands.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, and OPIATE Sigma, Uniprot P08172, P11229, and Q9R0C9