cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2df6rkt
title: BindingDB Entry 50033703: New 5-deoxyflavonoids and their inhibitory effects on protein tyrosine phosphatase 1B (PTP1B) activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2g161bg
title: BindingDB Entry 50034576: Discovery of aminopiperidine-based Smac mimetics as IAP antagonists.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2 and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170 and Q13490
DOI: 10.7270/q2h70g5q
title: BindingDB Entry 50033711: Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: a highly potent orally available CCR5 selective antagonist.

description: Small molecule binding data for protein C-C chemokine receptor type 5, C-X-C chemokine receptor type 4 (CXCR4), and Cytochrome P450 3A, Uniprot O08556, P08684, P51681, P61073, and Q1ZY22
DOI: 10.7270/q2hx1d0x
title: BindingDB Entry 50032925: Small molecule inhibition of protein depalmitoylation as a new approach towards downregulation of oncogenic Ras signalling.

description: Small molecule binding data for protein Acyl-protein thioesterase 1, Uniprot O75608
DOI: 10.7270/q2j103tx
title: BindingDB Entry 50036331: Synthesis, antitubulin and antimitotic activity, and cytotoxicity of analogs of 2-methoxyestradiol, an endogenous mammalian metabolite of estradiol that inhibits tubulin polymerization by binding to the colchicine binding site.

description: Small molecule binding data for protein Tubulin, Uniprot Q6B856
DOI: 10.7270/q2j38t3x
title: BindingDB Entry 50035372: Design, synthesis, and activity of novel cis- and trans-3,6-disubstituted pyran biomimetics of 3,6-disubstituted piperidine as potential ligands for the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2k074zr
title: BindingDB Entry 50036323: Investigation of the active site of aminopeptidase A using a series of new thiol-containing inhibitors.

description: Small molecule binding data for protein Aminopeptidase A, Aminopeptidase B, and Aminopeptidase N, Uniprot P15144, Q07075, and Q9H4A4
DOI: 10.7270/q2mp53r3
title: BindingDB Entry 50034567: Synthesis and interaction with midkine of biotinylated chondroitin sulfate tetrasaccharides.

description: Small molecule binding data for protein Midkine, Uniprot P21741
DOI: 10.7270/q2n016w1
title: BindingDB Entry 50033709: Identification of a potent, state-dependent inhibitor of Nav1.7 with oral efficacy in the formalin model of persistent pain.

description: Small molecule binding data for protein P2X purinoceptor 7 (P2X7), Sodium channel alpha subunit, Transient receptor potential cation channel subfamily M member 8 (TRPM8), Transient receptor potential cation channel subfamily V member 3, Transient receptor potential cation channel subfamily V member 4 (TRPV4), Voltage-gated potassium channel, Voltage-gated potassium channel subunit Kv1.5, Voltage-gated sodium channel subunit Nav1.5, Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3), Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), and Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot P22460, P35499, Q12809, Q14524, Q15858, Q62968, Q64663, Q7Z2W7, Q8NET8, Q9HBA0, and Q9NY46
DOI: 10.7270/q2np24q7
title: BindingDB Entry 50032924: Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A protease.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin E, Leukocyte elastase, Serine/threonine protein phosphatase PP2B-alpha catalytic subunit, and Sterol O-acyltransferase, Soat, Uniprot P07858, P08246, P16298, P70269, and Q7TQM4
DOI: 10.7270/q2ns0vkd
title: BindingDB Entry 50036330: Sigma ligands with subnanomolar affinity and preference for the sigma 2 binding site. 2. Spiro-joined benzofuran, isobenzofuran, and benzopyran piperidines.

description: Small molecule binding data for protein OPIATE Sigma, Uniprot Q9R0C9
DOI: 10.7270/q2nv9jsg
title: BindingDB Entry 50035371: Synthesis and evaluation of a novel series of farnesyl protein transferase inhibitors as non-peptidic CAAX tetrapeptide analogues.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P29702 and P49355
DOI: 10.7270/q2pr7wnb
title: BindingDB Entry 50036322: Synthesis of 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives with 5-HT3 antagonist and 5-HT4 agonist properties.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563, P61169, and Q9JJ16
DOI: 10.7270/q2rr1zm2
title: BindingDB Entry 50033708: Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.

description: Small molecule binding data for protein Glutamate kainate, Glutamate receptor ionotropic, AMPA 2, Glutamate receptor ionotropic, kainate, and Ionotropic glutamate receptor kainate 2/5, Uniprot P19491, P22756, P42260, and P42264
DOI: 10.7270/q2sf2wfk
title: BindingDB Entry 50032923: FRET-based sensors for the human M1-, M3-, and M5-acetylcholine receptors.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M1/M5 chimeric protein, Uniprot P08912, P11229, and P20309
DOI: 10.7270/q2sj1m8p
title: BindingDB Entry 50036329: Sigma ligands with subnanomolar affinity and preference for the sigma 2 binding site. 1. 3-(omega-aminoalkyl)-1H-indoles.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, OPIATE Sigma, and Serotonin (5-HT) receptor, Uniprot P14842, P19327, P61169, and Q9R0C9
DOI: 10.7270/q2sn09hr
title: BindingDB Entry 50035370: Novel 6-aryl-1,4-dihydrobenzo[d]oxazine-2-thiones as potent, selective, and orally active nonsteroidal progesterone receptor agonists.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, and Progesterone receptor, Uniprot P04150, P06401, and P19091
DOI: 10.7270/q2v69k1b
title: BindingDB Entry 50034573: Design and synthesis of 8-substituted benzamido-phenylxanthine derivatives as MAO-B inhibitors.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot Q8BW75
DOI: 10.7270/q2wh2qc7
title: BindingDB Entry 50033707: Isoflavone dimers and other bioactive constituents from the figs of Ficus mucuso.

description: Small molecule binding data for protein Enoyl-ACP Reductase (PfENR), Uniprot Q9BJJ9
DOI: 10.7270/q2x34xrk
title: BindingDB Entry 50032922: Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B.

description: Small molecule binding data for protein 14-alpha sterol demethylase and 14-alpha sterol demethylase Cyp51A
DOI: 10.7270/q2x92bx3
title: BindingDB Entry 50036328: S-(5'-deoxy-5'-adenosyl)-1-aminoxy-4-(methylsulfonio)-2-cyclopentene (AdoMao): an irreversible inhibitor of S-adenosylmethionine decarboxylase with potent in vitro antitrypanosomal activity.

description: Small molecule binding data for protein S-adenosylmethionine decarboxylase 1, Uniprot P17707
DOI: 10.7270/q2xd127g
title: BindingDB Entry 50035369: Amino propynyl benzoic acid building block in rigid spacers of divalent ligands binding to the Syk SH2 domains with equally high affinity as the natural ligand.

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q20002cc
title: BindingDB Entry 50032938: Development of non-peptide ligands of growth factor receptor-bound protein 2-SRC homology 2 domain using molecular modeling and NMR spectroscopy.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q20865pp
title: BindingDB Entry 50033715: Chromone, a privileged scaffold for the development of monoamine oxidase inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q20v8d3k
title: BindingDB Entry 50032929: Analogues ofs receptor ligand 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) with added polar functionality and reduced lipophilicity for potential use as positron emission tomography radiotracers.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2125t9g
title: BindingDB Entry 50036335: Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2154hmf
title: BindingDB Entry 50035377: Carbonic anhydrase inhibitors: E7070, a sulfonamide anticancer agent, potently inhibits cytosolic isozymes I and II, and transmembrane, tumor-associated isozyme IX.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, Q16790, and Q95323
DOI: 10.7270/q22r3s48
title: BindingDB Entry 50034579: Synthesis and antihypertensive activity of pyrimidin-4(3H)-one derivatives as losartan analogue for new angiotensin II receptor type 1 (AT1) antagonists.

description: Small molecule binding data for protein Angiotensin II type 1a (AT-1a) receptor, Uniprot P34976
DOI: 10.7270/q23n23p2
title: BindingDB Entry 50032937: Synthesis of 6,14-epoxymorphinan derivatives and their pharmacologies.

description: Small molecule binding data for protein mu/kappa opioid receptor, Uniprot P41144 and P97266
DOI: 10.7270/q2416xfg
title: BindingDB Entry 50033714: Discovery and structure-activity relationships of modified salicylanilides as cell permeable inhibitors of poly(ADP-ribose) glycohydrolase (PARG).

description: Small molecule binding data for protein poly(ADP-ribose) glycohydrolase (PARG) and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and Q86W56
DOI: 10.7270/q24q7vnm
title: BindingDB Entry 50036334: 2-Phenyl-4-(aminomethyl)imidazoles as potential antipsychotic agents. Synthesis and dopamine D2 receptor binding.

description: Small molecule binding data for protein Dopamine D2 receptor, Uniprot P52702
DOI: 10.7270/q26h4hw1
title: BindingDB Entry 50034578: Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile.

description: Small molecule binding data for protein Cytochrome P450 2C9, G-protein coupled receptor 119 (GPR119), Glucose-dependent insulinotropic receptor, and Voltage-gated potassium channel, Uniprot P11712, Q12809, Q7TQN8, and Q8TDV5
DOI: 10.7270/q27d2vdd
title: BindingDB Entry 50032936: Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene.

description: Small molecule binding data for protein Bile acid receptor FXR, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P33261, and Q96RI1
DOI: 10.7270/q27p8zxd
title: BindingDB Entry 50035383: Investigation of novel fumagillin analogues as angiogenesis inhibitors.

description: Small molecule binding data for protein Methionine aminopeptidase 2, Uniprot P50579
DOI: 10.7270/q27s7p4f
title: BindingDB Entry 50033713: Benzyl derivatives with in vitro binding affinity for human opioid and cannabinoid receptors from the fungus Eurotium repens.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P21554, P34972, P35372, P41143, and P41145
DOI: 10.7270/q28g8mbw
title: BindingDB Entry 50036333: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 2. Effects of 8-amino nitrogen substitution on serotonin receptor binding and pharmacology.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, and Serotonin (5-HT) receptor, Uniprot P19020, P19327, P28221, P28222, and P61169
DOI: 10.7270/q2b858mr
title: BindingDB Entry 50034577: Optimization of phenylacetic acid derivatives for balanced CRTH2 and DP dual antagonists.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q2c53m44
title: BindingDB Entry 50032935: A newß-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth.

description: Small molecule binding data for protein Carbonic Anhydrase VA, Carbonic anhydrase, Carbonic anhydrase 12, and Carbonic anhydrase 2, Uniprot O43570, P00915, P00918, and P35218
DOI: 10.7270/q2cc1186
title: BindingDB Entry 50035382: The discovery and synthesis of novel adenosine substituted 2,3-dihydro-1H-isoindol-1-ones: potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1).

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase-1, Uniprot P11103
DOI: 10.7270/q2d79c2m
title: BindingDB Entry 50036332: Hydroxamic acids as potent inhibitors of endothelin-converting enzyme from human bronchiolar smooth muscle.

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE1), Neprilysin, and Thermolysin, Uniprot P00800, P08049, and P42892
DOI: 10.7270/q2g73f37
title: BindingDB Entry 50033719: Structure-activity relationship studies on isoindoline inhibitors of dipeptidyl peptidases 8 and 9 (DPP8, DPP9): is DPP8-selectivity an attainable goal?

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2gx4bv4
title: BindingDB Entry 50032933: Probes for narcotic receptor mediated phenomena. 41. Unusual inverseµ-agonists and potentµ-opioid antagonists by modification of the N-substituent in enantiomeric 5-(3-hydroxyphenyl)morphans.

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/q2h132n3
title: BindingDB Entry 50036340: 4,5-Dihydro-3-(methanesulfonamidophenyl)-1-phenyl-1H-2,4-benzodiazepines: a novel class III antiarrhythmic agents.

description: Small molecule binding data for protein Voltage-gated potassium channel and Voltage-gated sodium channel subunit Nav1.5, Uniprot Q12809 and Q14524
DOI: 10.7270/q2h41s0j
title: BindingDB Entry 50035381: P3 cap modified Phe*-Ala series BACE inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2ks6s12
title: BindingDB Entry 50034575: Inhibition of human monoamine oxidase A and B by 5-phenoxy 8-aminoquinoline analogs.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2m045s3
title: BindingDB Entry 50033718: Investigations on the 4-quinolone-3-carboxylic acid motif. 4. Identification of new potent and selective ligands for the cannabinoid type 2 receptor with diverse substitution patterns and antihyperalgesic effects in mice.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2mp53kv
title: BindingDB Entry 50032932: Synthesis and pharmacological activities of 6-glycine substituted 14-phenylpropoxymorphinans, a novel class of opioids with high opioid receptor affinities and antinociceptive potencies.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P35372, P41143, and P41145
DOI: 10.7270/q2ms3tdk
title: BindingDB Entry 50036339: [(Alkylamino)methyl]acrylophenones: potent and selective inhibitors of the epidermal growth factor receptor protein tyrosine kinase.

description: Small molecule binding data for protein Epidermal growth factor receptor, Tyrosine-protein kinase ABL1, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519, P00533, and P12931
DOI: 10.7270/q2mw2hp3
title: BindingDB Entry 50035380: Phe*-Ala-based pentapeptide mimetics are BACE inhibitors: P2 and P3 SAR.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2 (BACE2), Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2pk0gmj
title: BindingDB Entry 50034582: Aß-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P10635, and Q12809
DOI: 10.7270/q2qf8tb2
title: BindingDB Entry 50034574: Synthesis and antihormonal properties of novel 11ß-benzoxazole-substituted steroids.

description: Small molecule binding data for protein Glucocorticoid receptor and Progesterone receptor, Uniprot P04150 and P06401
DOI: 10.7270/q2qr4xgp
title: BindingDB Entry 50033717: Modulation of GABAA-receptors by honokiol and derivatives: subtype selectivity and structure-activity relationship.

description: Small molecule binding data for protein GABA-A receptor; GABA-A site (alpha1/beta2 interface), Uniprot P14867 and P47870
DOI: 10.7270/q2rf5v96
title: BindingDB Entry 50032931: 3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile (S1) based molecules as potent, dual inhibitors of B-cell lymphoma 2 (Bcl-2) and myeloid cell leukemia sequence 1 (Mcl-1): structure-based design and structure-activity relationship studies.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415 and Q07820
DOI: 10.7270/q2rj4k49
title: BindingDB Entry 50036338: Potent in vitro and in vivo inhibitors of platelet aggregation based upon the Arg-Gly-Asp sequence of fibrinogen. (Aminobenzamidino)succinyl (ABAS) series of orally active fibrinogen receptor antagonists.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2rn38dt
title: BindingDB Entry 50035379: Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with EMATE, a dual inhibitor of carbonic anhydrases and steroid sulfatase.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2t72hxj
title: BindingDB Entry 50034581: Imidazopyridines as selective CYP3A4 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A and Cytochrome P450 3A5 (CYP3A5), Uniprot P08684 and P20815
DOI: 10.7270/q2vh5p6d
title: BindingDB Entry 50033716: Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening.

description: Small molecule binding data for protein Thymidylate Synthase (TS) and Thymidylate synthase, Uniprot P00469, P04818, and Q834R3
DOI: 10.7270/q2w66m1x
title: BindingDB Entry 50032930: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate.

description: Small molecule binding data for protein Neurokinin 1 receptor and Sigma, Uniprot P25103 and Q99720
DOI: 10.7270/q2w959vm
title: BindingDB Entry 50036336: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Adrenergic receptor alpha, DRD2, and Serotonin 2a (5-HT2a) receptor, Uniprot P08908, P20288, P22909, and Q75Z89
DOI: 10.7270/q2wd414j
title: BindingDB Entry 50035378: Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2z038mt
title: BindingDB Entry 50034580: Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2028s70
title: BindingDB Entry 50036345: Technetium-99m-labeled HOE 140: a potential bradykinin B2 receptor imaging agent.

description: Small molecule binding data for protein Bradykinin B2 receptor, Uniprot O70526
DOI: 10.7270/q2057gg2
title: BindingDB Entry 50035385: SAR development of a selective 5-HT1D antagonist/serotonin reuptake inhibitor lead using rapid parallel synthesis.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Sodium-dependent serotonin transporter, Uniprot P28221, P28222, P31652, and P61169
DOI: 10.7270/q21r6qz1
title: BindingDB Entry 50034587: Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase receptor FLT3, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11309, P11712, P33261, P36888, Q12809, Q86V86, and Q9P1W9
DOI: 10.7270/q22r3rzm
title: BindingDB Entry 50032959: TBA

description: Small molecule binding data for protein GRM7, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), and Metabotropic glutamate receptor 5, Uniprot P31424, P41594, Q13255, Q14416, and Q14831
DOI: 10.7270/q2319w8n
title: BindingDB Entry 50033722: Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q23t9hw3
title: BindingDB Entry 50036344: Synthesis and biochemical evaluation of adenosylspermidine, a nucleoside-polyamine adduct inhibitor of spermidine synthase.

description: Small molecule binding data for protein Spermidine synthase, Uniprot P19623
DOI: 10.7270/q23x876g
title: BindingDB Entry 50035384: Identification and synthesis of [1,2,4]triazolo[3,4-a]phthalazine derivatives as high-affinity ligands to the alpha 2 delta-1 subunit of voltage gated calcium channel.

description: Small molecule binding data for protein Voltage-gated calcium channel subunit alpha-2/delta, Uniprot P54289
DOI: 10.7270/q25h7gq6
title: BindingDB Entry 50034586: Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Cytochrome P450 1A1, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P04798, P08684, P10635, P11712, P33261, P51681, and Q12809