cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2w37xph
title: BindingDB Entry 50043182: Targeting gain of function and resistance mutations in Abl and KIT by hybrid compound design.

description: Small molecule binding data for protein Src and Tyrosine-protein kinase ABL1, Uniprot P00519 and P00523
DOI: 10.7270/q2wm1frh
title: BindingDB Entry 50042702: Hybrids consisting of the pharmacophores of salmeterol and roflumilast or phthalazinone: dualß2-adrenoceptor agonists-PDE4 inhibitors for the treatment of COPD.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2xg9sn8
title: BindingDB Entry 50044275: TBA

description: Small molecule binding data for protein Mitotic checkpoint serine/threonine-protein kinase BUB1, Uniprot O43683
DOI: 10.7270/q2xp76hr
title: BindingDB Entry 50044811: Design, synthesis and biological evaluation of metronidazole-thiazole derivatives as antibacterial inhibitors.

description: Small molecule binding data for protein Beta-ketoacyl-ACP synthase III (FabH), Uniprot C3TDZ2
DOI: 10.7270/q20c4x4w
title: BindingDB Entry 50042709: Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), Collagenase, Matrix metalloproteinase-1 (MMP1), and Matrix metalloproteinase-14 (MMP14), Uniprot O75173, P03956, P08253, P45452, P50281, and Q9UNA0
DOI: 10.7270/q20v8f7s
title: BindingDB Entry 50043777: TBA

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q218381k
title: BindingDB Entry 50044282: MT1 and MT2 melatonin receptors: ligands, models, oligomers, and therapeutic potential.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q21g0nvt
title: BindingDB Entry 50044818: 1,4-disubstituted-[1,2,3]triazolyl-containing analogues of MT-II: design, synthesis, conformational analysis, and biological activity.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q22v2hd6
title: BindingDB Entry 50042178: alpha(1)-Adrenoceptor agonists: the identification of novel alpha(1A )subtype selective 2'-heteroaryl-2-(phenoxymethyl)imidazolines.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q23n24mk
title: BindingDB Entry 50041540: Pharmacomodulation on the 3-acetylursolic acid skeleton: Design, synthesis, and biological evaluation of novel N-{3-[4-(3-aminopropyl)piperazinyl]propyl}-3-O-acetylursolamide derivatives as antimalarial agents.

description: Small molecule binding data for protein Histidine-rich protein, Uniprot P05227
DOI: 10.7270/q23n24st
title: BindingDB Entry 50043188: Discovery of triazines as potent, selective and orally active PDE4 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1A1, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Phosphodiesterase 11A (PDE11A), Uniprot P04798, P05177, P10635, P11509, P11712, P33261, and Q9HCR9
DOI: 10.7270/q2445ntr
title: BindingDB Entry 50042708: Towards dual antithrombotic compounds - balancing thrombin inhibitory and fibrinogen GPIIb/IIIa binding inhibitory activities of 2,3-dihydro-1,4-benzodioxine derivatives through regio- and stereoisomerism.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, and Prothrombin, Uniprot P00734, P00742, P05106, P06756, and P08514
DOI: 10.7270/q24j0gm7
title: BindingDB Entry 50043776: TBA

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q24x59b8
title: BindingDB Entry 50044281: Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 3A, Uniprot P08684, P11712, P21554, and P33261
DOI: 10.7270/q2571dm0
title: BindingDB Entry 50044817: Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Adrenergic receptor alpha-2, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Serotonin (5-HT) receptor, and Voltage-gated potassium channel, Uniprot P08908, P08913, P14416, P14842, P18089, P18825, P28223, P28335, P35367, P35462, Q12809, and Q4W594
DOI: 10.7270/q26m384x
title: BindingDB Entry 50042177: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1D, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Beta-3 adrenergic receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Histamine H1 receptor, Uniprot P08908, P08913, P13945, P14416, P21917, P28221, P28223, P28335, P35348, P35367, and P35462
DOI: 10.7270/q27d2wjm
title: BindingDB Entry 50043187: Mono-carbonyl curcumin analogues as 11ß-hydroxysteroid dehydrogenase 1 inhibitors.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) and 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P16232 and P28845
DOI: 10.7270/q27s7q4v
title: BindingDB Entry 50042707: Synthesis and biological evaluation of 1,3,4-thiadiazole analogues as novel AChE and BuChE inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q28p621j
title: BindingDB Entry 50044280: Adenosine A2A receptor as a drug discovery target.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, Adenosine receptor A2b, Adenosine receptor A3, Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P0DMS8, P25099, P28647, P29274, P29275, P30542, P30543, and Q12809
DOI: 10.7270/q2bc40v7
title: BindingDB Entry 50042176: Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies.

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/q2c24xw2
title: BindingDB Entry 50043782: TBA

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546
DOI: 10.7270/q2c53n8b
title: BindingDB Entry 50043186: Design, synthesis, and evaluation of multitarget-directed resveratrol derivatives for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2cj8ftq
title: BindingDB Entry 50042706: Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2dr2x36
title: BindingDB Entry 50044815: Polyyne hybrid compounds from Notopterygium incisum with peroxisome proliferator-activated receptor gamma agonistic effects.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2gt5pmg
title: BindingDB Entry 50043781: TBA

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q2gx4d0r
title: BindingDB Entry 50043185: Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain.

description: Small molecule binding data for protein Adenosine A1 receptor and Adenosine A3 receptor, Uniprot Q60612 and Q61618
DOI: 10.7270/q2h996jf
title: BindingDB Entry 50042705: Synthesis and structure-activity relationship analysis of caffeic acid amides as selective matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein Collagenase and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P08253, and P14780
DOI: 10.7270/q2jd4zd6
title: BindingDB Entry 50044814: Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1, DNA (cytosine-5)-methyltransferase 3B, DNMT3A2/3L complex, Histone-lysine N-methyltransferase SUV39H1, Myeloid/lymphoid or mixed-lineage leukemia (MLL), Protein G9a (G9a), Protein-arginine N-methyltransferase 1, and SET domain-containing protein 7/9 (Set7/9), Uniprot O43463, P13864, Q03164, Q8WTS6, Q96KQ7, Q9UBC3, and Q9Y6K1
DOI: 10.7270/q2mk6fb6
title: BindingDB Entry 50043780: TBA

description: Small molecule binding data for protein PI3-kinase subunit alpha, Uniprot P42336
DOI: 10.7270/q2n01823
title: BindingDB Entry 50044285: Euodenine A: a small-molecule agonist of human TLR4.

description: Small molecule binding data for protein Toll-like receptor 4, Uniprot O00206
DOI: 10.7270/q2nz8955
title: BindingDB Entry 50044277: TBA

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), Serotonin (5-HT) receptor, Serotonin and norepinephrine transporters (SERT/NET), and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, P31645, P32305, P41595, and P50406
DOI: 10.7270/q2p55q3g
title: BindingDB Entry 50044813: Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.

description: Small molecule binding data for protein Collagenase, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, and P45452
DOI: 10.7270/q2qc04q0
title: BindingDB Entry 50041543: Docking-based 3D-QSAR study for 11beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845
DOI: 10.7270/q2rb762x
title: BindingDB Entry 50043779: TBA

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2td9zm8
title: BindingDB Entry 50042180: Identification of unique VLA-4 antagonists from a combinatorial library.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2v40wfb
title: BindingDB Entry 50041542: Iromycins from Streptomyces sp. and from synthesis: new inhibitors of the mitochondrial electron transport chain.

description: Small molecule binding data for protein Acyl carrier protein, mitochondrial, Uniprot P52505
DOI: 10.7270/q2v40wmk
title: BindingDB Entry 50043190: Discovery of RG7388, a potent and selective p53-MDM2 inhibitor in clinical development.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2vm4dm4
title: BindingDB Entry 50042710: Montmorillonite K-10 catalyzed green synthesis of 2,6-unsubstituted dihydropyridines as potential inhibitors of PDE4.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2w37xsv
title: BindingDB Entry 50043778: TBA

description: Small molecule binding data for protein Kallikrein 5 and Kallikrein 7, Uniprot P49862
DOI: 10.7270/q2z320zn
title: BindingDB Entry 50042179: 2-(anilinomethyl)imidazolines as alpha1A adrenergic receptor agonists: 2'-heteroaryl and 2'-oxime ether series.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2zw1n5r
title: BindingDB Entry 50041541: Synthesis and in vitro activity of 1-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine and 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-4H-1,2,4-triazol-3-amine P2X7 antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q2zw1n9j
title: BindingDB Entry 50043189: 2-[(3aR,4R,5S,7aS)-5-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy}-4-(2-methylphenyl)octahydro-2H-isoindol-2-yl]-1,3-oxazol-4(5H)-one: a potent human NK1 receptor antagonist with multiple clearance pathways.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Neurokinin 1 receptor, Neurokinin 2 receptor, and Neurokinin 3 receptor, Uniprot P10632, P10635, P11712, P21452, P25103, and P29371
DOI: 10.7270/q20866vb
title: BindingDB Entry 50044290: Cathepsin C inhibitors: property optimization and identification of a clinical candidate.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, Dipeptidyl peptidase I, and Voltage-gated potassium channel, Uniprot P07711, P07858, P25774, P43235, P53634, and Q12809
DOI: 10.7270/q21v5g8t
title: BindingDB Entry 50042186: 2-(Anilinomethyl)imidazolines as alpha1 adrenergic receptor agonists: alpha1a subtype selective 2'-heteroaryl compounds.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2348mr8
title: BindingDB Entry 50042716: Mechanism of retinoid X receptor partial agonistic action of 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid and structural development to increase potency.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q23n24vq
title: BindingDB Entry 50043784: TBA

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, and Tyrosine-protein kinase receptor FLT3, Uniprot P05177, P05622, P07333, P10635, P11712, P33261, and P36888
DOI: 10.7270/q26d5vcs
title: BindingDB Entry 50043195: TBA

description: Small molecule binding data for protein Major prion protein, Uniprot P23907
DOI: 10.7270/q26w9cf7
title: BindingDB Entry 50042715: Sesquiterpenes from the rhizomes of Curcuma heyneana.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and T-cell protein-tyrosine phosphatase, Uniprot P17706 and P18031
DOI: 10.7270/q2794654
title: BindingDB Entry 50043783: TBA

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449, P51450, and Q6I9R9
DOI: 10.7270/q27p90zn
title: BindingDB Entry 50044288: Multitarget drug discovery for tuberculosis and other infectious diseases.

description: Small molecule binding data for protein Dehydrosqualene synthase, Geranylgeranyl Diphosphate Synthase (GGPPS), and Squalene synthetase, Uniprot A9JQL9, O95749, and P37268
DOI: 10.7270/q280547s
title: BindingDB Entry 50044824: Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 13 (CA XIII), Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q8N1Q1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q29025dm
title: BindingDB Entry 50044816: Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.

description: Small molecule binding data for protein Deoxycytidine kinase, Uniprot P27707
DOI: 10.7270/q2b27wj0
title: BindingDB Entry 50041569: Activity-guided isolation of steroidal alkaloid antiestrogen-binding site inhibitors from Pachysandra procumbens.

description: Small molecule binding data for protein Anti-estrogen binding site (AEBS), Uniprot Q9UBM7
DOI: 10.7270/q2bk1dqb
title: BindingDB Entry 50042714: Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Uniprot P31645
DOI: 10.7270/q2cf9rnj
title: BindingDB Entry 50044287: Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2cr5w08
title: BindingDB Entry 50044823: A class of 4-sulfamoylphenyl-¿-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2f47qf6
title: BindingDB Entry 50042183: Sulphonamide-based small molecule VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2ft8n8d
title: BindingDB Entry 50041545: Achiral, selective CCK2 receptor antagonists based on a 1,3,5-benzotriazepine-2,4-dione template.

description: Small molecule binding data for protein CCKBR, Uniprot P30553
DOI: 10.7270/q2fx7bvz
title: BindingDB Entry 50043193: A novel series of highly potent 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitors.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin H/Cyclin-dependent kinase 7, Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), and Cyclin-dependent kinase 1, Uniprot O60563, P06493, P50613, P50750, P51946, P51948, Q00535, and Q15078
DOI: 10.7270/q2gb25c5
title: BindingDB Entry 50042713: Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q2h70hbc
title: BindingDB Entry 50044286: Discovery of (E)-3-((styrylsulfonyl)methyl)pyridine and (E)-2-((styrylsulfonyl)methyl)pyridine derivatives as anticancer agents: synthesis, structure-activity relationships, and biological activities.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2jw8g62
title: BindingDB Entry 50042182: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2kk9d04
title: BindingDB Entry 50041544: Alkyne-quinuclidine derivatives as potent and selective muscarinic antagonists for the treatment of COPD.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M3
DOI: 10.7270/q2kk9d8q
title: BindingDB Entry 50043788: TBA

description: Small molecule binding data for protein Thyroid Hormone Receptor (TR-beta), Thyroid hormone receptor, and Vitamin D receptor, Uniprot F1D8N7, P10827, P10828, and P11473
DOI: 10.7270/q2kp83kp
title: BindingDB Entry 50043192: Synthesis and structure-activity relationship studies of O-biphenyl-3-yl carbamates as peripherally restricted fatty acid amide hydrolase inhibitors.

description: Small molecule binding data for protein Anandamide amidohydrolase, Uniprot P97612
DOI: 10.7270/q2m32x3h
title: BindingDB Entry 50042712: Highly potent and selective cannabinoid receptor 2 agonists: initial hit optimization of an adamantyl hit series identified from high-through-put screening.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 1 (CB1R), and Cannabinoid receptor 2, Uniprot P21554, P34972, P47746, and P47936
DOI: 10.7270/q2n87ccd
title: BindingDB Entry 50044821: Synthesis and structure-activity relationship study of chemical probes as hypoxia induced factor-1a/malate dehydrogenase 2 inhibitors.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha and Malate dehydrogenase, mitochondrial, Uniprot P40926 and Q16665
DOI: 10.7270/q2pn96xc
title: BindingDB Entry 50042181: N-aryl 2,6-dimethoxybiphenylalanine analogues as VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2qf8v8k
title: BindingDB Entry 50043191: 4-Amino-7-chloroquinolines: probing ligand efficiency provides botulinum neurotoxin serotype A light chain inhibitors with significant antiprotozoal activity.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q2qv3nvz
title: BindingDB Entry 50042711: Cinnamic acid derivatives as inhibitors for chorismatases and isochorismatases.

description: Small molecule binding data for protein FkbO, Uniprot Q9KID9
DOI: 10.7270/q2rr20s3
title: BindingDB Entry 50044284: Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.

description: Small molecule binding data for protein Bile acid receptor FXR and G-protein coupled bile acid receptor 1, Uniprot Q8TDU6 and Q96RI1
DOI: 10.7270/q2rx9dp3
title: BindingDB Entry 50044820: Hybrids of phenylsulfonylfuroxan and coumarin as potent antitumor agents.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Uniprot Q02750
DOI: 10.7270/q2v40wpg
title: BindingDB Entry 50043786: TBA

description: Small molecule binding data for protein Proteinase-activated receptor 1 (PAR1), Uniprot P25116
DOI: 10.7270/q2wh2rjw
title: BindingDB Entry 50044283: Recent advances in the discovery of small molecules targeting exchange proteins directly activated by cAMP (EPAC).

description: Small molecule binding data for protein Rap guanine nucleotide exchange factor 3 and Rap guanine nucleotide exchange factor 4, Uniprot O95398 and Q8WZA2
DOI: 10.7270/q2wq05cx
title: BindingDB Entry 50044819: Discovery of a Potent and Selective DGAT1 Inhibitor with a Piperidinyl-oxy-cyclohexanecarboxylic Acid Moiety.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Adenosine receptor A2a, Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Voltage-gated potassium channel, Uniprot O75907, P29274, P35610, Q12809, and Q9Z2A7