cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2s46th2
title: BindingDB Entry 50044191: Synthesis and discovery of highly functionalized mono- and bis-spiro-pyrrolidines as potent cholinesterase enzyme inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2sf2xr1
title: BindingDB Entry 50044727: Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation.

description: Small molecule binding data for protein 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial and Cytochrome P450 24A1, Uniprot O35084 and Q07973
DOI: 10.7270/q2tm7cbz
title: BindingDB Entry 50041420: Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

description: Small molecule binding data for protein Androgen receptor, Uniprot P15207
DOI: 10.7270/q2v12656
title: BindingDB Entry 50042625: Synthesis and SAR of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones as 5-HT2C receptor agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2wh2rfj
title: BindingDB Entry 50043685: Discovery of 2,5-diarylnicotinamides as selective orexin-2 receptor antagonists (2-SORAs).

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2ww7k61
title: BindingDB Entry 50044190: Highly conjugated norditerpenoid and pyrroloquinoline alkaloids with potent PTP1B inhibitory activity from Nigella glandulifera.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2x63pjn
title: BindingDB Entry 50044726: Structure-based design of potent and selective Leishmania N-myristoyltransferase inhibitors.

description: Small molecule binding data for protein Myristoyl-CoA:protein N-myristoyltransferase (Nmt), Uniprot P30419
DOI: 10.7270/q2xk8gtf
title: BindingDB Entry 50042094: Synthesis and biological activities of 4-substituted pyrrolo[2,3-a]carbazole Pim kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309, Q86V86, and Q9P1W9
DOI: 10.7270/q2z89dnz
title: BindingDB Entry 50041418: A series of bisaryl imidazolidin-2-ones has shown to be selective and orally active 5-HT2C receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2zs2xvc
title: BindingDB Entry 50042624: New selective carbonic anhydrase IX inhibitors: synthesis and pharmacological evaluation of diarylpyrazole-benzenesulfonamides.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q20866r0
title: BindingDB Entry 50043692: Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.

description: Small molecule binding data for protein DNA ligase, Uniprot Q9AIU7
DOI: 10.7270/q20p11jg
title: BindingDB Entry 50044197: [Dmt(1)]DALDA analogues with enhancedµ opioid agonist potency and with a mixedµ/¿ opioid activity profile.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P41144, and P97266
DOI: 10.7270/q20z74w7
title: BindingDB Entry 50044733: Substituted thieno[2,3-b]thiophenes and related congeners: Synthesis,ß-glucuronidase inhibition activity, crystal structure, and POM analyses.

description: Small molecule binding data for protein Carbonic anhydrase and beta-Glucuronidase (β-glucuronidase), Uniprot O43570, P00915, P00918, P07451, P08236, P22748, P23280, P35218, P43166, Q16790, Q8N1Q1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2222w0f
title: BindingDB Entry 50041432: A novel nicotinic acetylcholine receptor antagonist radioligand for PET studies.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q22j6d74
title: BindingDB Entry 50042631: Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Thymidylate kinase, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P23919, P33261, and Q12809
DOI: 10.7270/q2416zhs
title: BindingDB Entry 50043691: Fragment based discovery of arginine isosteres through REPLACE: towards non-ATP competitive CDK inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2) and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P20248, P24385, and P24941
DOI: 10.7270/q2542pvs
title: BindingDB Entry 50042100: Identification of new snake venom metalloproteinase inhibitors using compound screening and rational Peptide design.

description: Small molecule binding data for protein Snake venom metalloproteinase Bap1, Uniprot P83512
DOI: 10.7270/q25t3mp0
title: BindingDB Entry 50041430: Synthesis and pharmacochemical study of novel polyfunctional molecules combining anti-inflammatory, antioxidant, and hypocholesterolemic properties.

description: Small molecule binding data for protein Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q26974x0
title: BindingDB Entry 50042630: Discovery of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]-4-(hydroxymethyl)-4-piperidyl]methyl]-3,5-dichloro-benzamide as a selective T-type calcium channel (Cav3.2) inhibitor.

description: Small molecule binding data for protein Calcium channel (Type L), Calcium channel (Type T,L), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot O95180, P05177, P08684, P10632, P10635, P11712, P33261, Q12809, Q13936, Q14524, Q9UK17, and Q9Y3Q4
DOI: 10.7270/q27s7q76
title: BindingDB Entry 50043690: Imatinib analogs as potential agents for PET imaging of Bcr-Abl and c-KIT expression at a kinase level.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519 and P11274
DOI: 10.7270/q2862j0j
title: BindingDB Entry 50044195: Novel inhibitors of the MDM2-p53 interaction featuring hydrogen bond acceptors as carboxylic acid isosteres.

description: Small molecule binding data for protein Cytochrome P450 3A, E3 ubiquitin-protein ligase Mdm2, and p53-Binding Protein HDMX, Uniprot O15151, P08684, and Q00987
DOI: 10.7270/q28c9xt7
title: BindingDB Entry 50044731: Piperazinyl-oxadiazoles as selective sphingosine-1-phosphate receptor agonists.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q28w3fk6
title: BindingDB Entry 50042099: Low Doses of Allyphenyline and Cyclomethyline, Effective against Morphine Dependence, Elicit an Antidepressant-like Effect.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, and Voltage-gated potassium channel, Uniprot P08908, P08913, P18089, P18825, Q12809, and Q4W594
DOI: 10.7270/q2b27wnb
title: BindingDB Entry 50042629: Phosphodiesterase inhibitors. Part 5: hybrid PDE3/4 inhibitors as dual bronchorelaxant/anti-inflammatory agents for inhaled administration.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3) and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343 and Q14432
DOI: 10.7270/q2cz38qj
title: BindingDB Entry 50044194: Imidazol-1-ylethylindazole voltage-gated sodium channel ligands are neuroprotective during optic neuritis in a mouse model of multiple sclerosis.

description: Small molecule binding data for protein Sodium channel alpha subunit, Voltage-gated sodium channel subunit Nav1.5, Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1), Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), 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 P35498, P35499, Q14524, Q15858, Q99250, Q9NY46, Q9UQD0, and Q9Y5Y9
DOI: 10.7270/q2d50ph2
title: BindingDB Entry 50044730: The design and implementation of a generic lipopeptide scanning platform to enable the identification of 'locally acting' agonists for the apelin receptor.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Cannabinoid receptor 1, Dopamine D1 and D2 receptor, Muscarinic acetylcholine receptor M2, Prostanoid TP receptor, Serotonin receptor (2b and 2c), and apelin receptor, Uniprot P07550, P08172, P08908, P08913, P21554, P21728, P21731, P28223, P35348, P35414, and P41595
DOI: 10.7270/q2db832z
title: BindingDB Entry 50041440: Investigating the role of stereochemistry in the activity of anticancer acylfulvenes: synthesis, reductase-mediated bioactivation, and cellular toxicity.

description: Small molecule binding data for protein NADP-dependent leukotriene B4 12-hydroxydehydrogenase, Uniprot P97584
DOI: 10.7270/q2dn469x
title: BindingDB Entry 50042098: Design and synthesis of potent, selective inhibitors of matriptase.

description: Small molecule binding data for protein Hepsin, Matriptase, Prothrombin, Transmembrane protease serine 11D, and Transmembrane protease serine 6, Uniprot O60235, P00734, P05981, Q8IU80, and Q9Y5Y6
DOI: 10.7270/q2ft8nd6
title: BindingDB Entry 50042628: Glycosidic carbonic anhydrase IX inhibitors: a sweet approach against cancer.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2hq41gq
title: BindingDB Entry 50044193: Prenylated coumarins: natural phosphodiesterase-4 inhibitors from Toddalia asiatica.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q2hx1f7g
title: BindingDB Entry 50044729: The antileishmanial activity of isoforms 6- and 8-selective histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 8, Uniprot A0A024QZ26, Q9BY41, and Q9UBN7
DOI: 10.7270/q2j67j9z
title: BindingDB Entry 50043115: Development of time resolved fluorescence resonance energy transfer-based assay for FXR antagonist discovery.

description: Small molecule binding data for protein Bile acid receptor FXR and Pregnane X receptor (PXR), Uniprot O75469 and Q96RI1
DOI: 10.7270/q2j967pt
title: BindingDB Entry 50042097: Rational Design, Synthesis, and SAR of a Novel Thiazolopyrimidinone Series of Selective PI3K-beta Inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2m32x79
title: BindingDB Entry 50043695: From NMDA receptor antagonists to discovery of selectives2 receptor ligands.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B) and Sigma-1 receptor, Uniprot Q00960 and Q60492
DOI: 10.7270/q2ng4s5m
title: BindingDB Entry 50044192: Optimization of potency and pharmacokinetic properties of tetrahydroisoquinoline transient receptor potential melastatin 8 (TRPM8) antagonists.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8) and Transient receptor potential cation channel subfamily M member 8 (TRPM8), Uniprot Q7Z2W7 and Q8R455
DOI: 10.7270/q2np260n
title: BindingDB Entry 50044728: Design, synthesis and anti-HIV evaluation of novel diarylnicotinamide derivatives (DANAs) targeting the entrance channel of the NNRTI binding pocket through structure-guided molecular hybridization.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2nv9kn3
title: BindingDB Entry 50043114: Antagonism of L-type Ca2+ channels CaV1.3 and CaV1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics.

description: Small molecule binding data for protein Voltage-gated L-type calcium channel alpha-1C subunit, Uniprot P15381
DOI: 10.7270/q2qv3nz9
title: BindingDB Entry 50043694: Small molecule inhibitors of anthrax lethal factor toxin.

description: Small molecule binding data for protein Antrax lethal toxin and Botulinum neurotoxin type A, Uniprot P10845 and P15917
DOI: 10.7270/q2sn0bbx
title: BindingDB Entry 50043113: Design, synthesis and evaluation of retinoids with novel bulky hydrophobic partial structures.

description: Small molecule binding data for protein Retinoid X receptor gamma/retinoic acid receptor alpha, Uniprot P10276
DOI: 10.7270/q2st7r34
title: BindingDB Entry 50042095: Synthesis and biological evaluation of selective and potent cyclin-dependent kinase inhibitors.

description: Small molecule binding data for protein Casein kinase I isoform alpha (CK1 Alpha), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dual specificity protein kinase CLK1, and Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot O60563, P05177, P08684, P10635, P11712, P22518, P33261, P48729, P50750, Q00535, Q13627, and Q15078
DOI: 10.7270/q2t43vfr
title: BindingDB Entry 50042633: 1,5-Diphenylpenta-2,4-dien-1-ones as potent and selective monoamine oxidase-B 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/q2vh5q95
title: BindingDB Entry 50043693: Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Protein-tyrosine phosphatase 1B, and T-cell protein-tyrosine phosphatase, Uniprot P17706, P18031, and P24666
DOI: 10.7270/q2xd12w0
title: BindingDB Entry 50041434: Piperazinyl oxime ethers as NK-1 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2xd132n
title: BindingDB Entry 50043112: Australian marine sponge alkaloids as a new class of glycine-gated chloride channel receptor modulator.

description: Small molecule binding data for protein Glycine and Glycine receptor subunit alpha-3, Uniprot O75311 and P23415
DOI: 10.7270/q2xw4m4q
title: BindingDB Entry 50042632: QSAR studies of sulfamate and sulfamide inhibitors targeting human carbonic anhydrase isozymes I, II, IX and XII.

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/q2154j8c
title: BindingDB Entry 50041443: Practical synthesis and evaluation of the biological activities of 1alpha,25-dihydroxyvitamin D3 antagonists, 1alpha,25-dihydroxyvitamin D3-26,23-lactams. Designed on the basis of the helix 12-folding inhibition hypothesis.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q21c1z4g
title: BindingDB Entry 50042101: Metabotropic glutamate receptor 5 negative allosteric modulators as novel tools for in vivo investigation.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Uniprot P31424
DOI: 10.7270/q2319xbz
title: BindingDB Entry 50043699: Design, synthesis and evaluation of dual pharmacologyß2-adrenoceptor agonists and PDE4 inhibitors.

description: Small molecule binding data for protein Beta-2 adrenergic receptor, Uniprot Q8K4Z4
DOI: 10.7270/q24f1s8t
title: BindingDB Entry 50044196: Potential anti-angiogenesis effects of p-terphenyl compounds from Polyozellus multiplex.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q24q7wk4
title: BindingDB Entry 50044732: Development of a novel class of mitochondrial ubiquinol-cytochrome c reductase binding protein (UQCRB) modulators as promising antiangiogenic leads.

description: Small molecule binding data for protein Cytochrome b-c1 complex subunit 7, Uniprot P14927
DOI: 10.7270/q24t6kk2
title: BindingDB Entry 50041442: Design, synthesis, and evaluation of near infrared fluorescent multimeric RGD peptides for targeting tumors.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q25b03v2
title: BindingDB Entry 50042638: Novel soluble myeloid cell leukemia sequence 1 (Mcl-1) inhibitor (E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile (4g) developed using a fragment-based approach.

description: Small molecule binding data for protein Bcl-xL/BAK and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07817 and Q07820
DOI: 10.7270/q26t0p3c
title: BindingDB Entry 50043698: Synthesis and SAR study of a novel series of dopamine receptor agonists.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416
DOI: 10.7270/q2765gvr
title: BindingDB Entry 50044203: Design, synthesis and molecular modeling of pyrazole-quinoline-pyridine hybrids as a new class of antimicrobial and anticancer agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q27h1m51
title: BindingDB Entry 50044739: Synthesis of new pyridazino[4,5-b]indol-4-ones and pyridazin-3(2H)-one analogs as DYRK1A inhibitors.

description: Small molecule binding data for protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A and PI3-kinase subunit alpha, Uniprot P42336 and Q13627
DOI: 10.7270/q28k7b8b
title: BindingDB Entry 50041441: Novel, achiral 1,3,4-benzotriazepine analogues of 1,4-benzodiazepine-based CCK(2) antagonists that display high selectivity over CCK(1) receptors.

description: Small molecule binding data for protein CCKBR, Uniprot P30553
DOI: 10.7270/q2930vhh
title: BindingDB Entry 50042637: Novel cinnoline-based inhibitors of LRRK2 kinase activity.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Macrophage colony stimulating factor receptor, and Platelet-derived growth factor receptor, Uniprot P07333, P16234, and Q5S007
DOI: 10.7270/q2bk1dtp
title: BindingDB Entry 50043697: Novel di-tertiary-butyl phenylhydrazones as dual cyclooxygenase-2/5-lipoxygenase inhibitors: synthesis, COX/LOX inhibition, molecular modeling, and insights into their cytotoxicities.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2bz67k5
title: BindingDB Entry 50044202: Synthesis and evaluation of 2-anilinopyrimidines bearing 3-aminopropamides as potential epidermal growth factor receptor inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2df6smp
title: BindingDB Entry 50043116: Membrane anchoring¿-secretase modulators with terpene-derived moieties.

description: Small molecule binding data for protein Presenilin-1, Uniprot P49768
DOI: 10.7270/q2dv1m7x
title: BindingDB Entry 50042636: A novel, potent, and orally active VLA-4 antagonist with good aqueous solubility: trans-4-[1-[[2-(5-Fluoro-2-methylphenylamino)-7-fluoro-6-benzoxazolyl]acetyl]-(5S)-[methoxy(methyl)amino]methyl-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2gb25hz
title: BindingDB Entry 50043696: 2-(1H-Pyrazol-1-yl)acetic acids as chemoattractant receptor-homologous molecule expressed on Th2 lymphocytes (CRTh2) antagonists.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2gx4d4j
title: BindingDB Entry 50044737: Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Orexin receptor 1, Orexin receptor 2, and Pregnane X receptor (PXR), Uniprot O43613, O43614, O75469, P08684, P10635, P11712, and S4X0W3
DOI: 10.7270/q2j38tsw
title: BindingDB Entry 50041439: Lipolanthionine peptides act as inhibitors of TLR2-mediated IL-8 secretion. Synthesis and structure-activity relationships.

description: Small molecule binding data for protein Toll-like receptor 2 (TLR2), Uniprot O60603
DOI: 10.7270/q2jm2c03
title: BindingDB Entry 50042635: Indoleamine 2,3-dioxygenase inhibitory activity of derivatives of marine alkaloid tsitsikammamine A.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2mg7r2p
title: BindingDB Entry 50044200: Fragment-based identification of an inducible binding site on cell surface receptor CD44 for the design of protein-carbohydrate interaction inhibitors.

description: Small molecule binding data for protein CD44 antigen, Uniprot P15379 and P16070
DOI: 10.7270/q2mp54vv
title: BindingDB Entry 50044736: Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension.

description: Small molecule binding data for protein Protein kinase C theta type, Protein kinase C, eta, Protein kinase N1, Protein kinase N2, and Rho-associated protein kinase, Uniprot O75116, P24723, Q04759, Q13464, Q16512, and Q16513
DOI: 10.7270/q2n29z7b
title: BindingDB Entry 50042104: Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A.

description: Small molecule binding data for protein Ricin, Uniprot P02879
DOI: 10.7270/q2nv9kgv
title: BindingDB Entry 50041438: Analogues of neurohypophyseal hormones, oxytocin and arginine vasopressin, conformationally restricted in the N-terminal part of the molecule.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P70536
DOI: 10.7270/q2pc33rv
title: BindingDB Entry 50042634: Synthesis and biological evaluation of novel propargyl amines as potential fluorine-18 labeled radioligands for detection of MAO-B activity.

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/q2r78grj
title: BindingDB Entry 50044199: Evaluation of bisindole as potentß-glucuronidase inhibitors: synthesis and in silico based studies.

description: Small molecule binding data for protein Beta-glucuronidase (β-glucuronidase)
DOI: 10.7270/q2rf5wmn
title: BindingDB Entry 50044735: Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands.

description: Small molecule binding data for protein Bile acid receptor FXR and G-protein coupled bile acid receptor 1, Uniprot Q8TDU6 and Q96RI1