cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2b8595b
title: BindingDB Entry 50040041: Discovery of novel tricyclic compounds as squalene synthase inhibitors.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2d50p27
title: BindingDB Entry 50040444: Hydrolytic instability of the important orexin 1 receptor antagonist SB-334867: possible confounding effects on in vivo and in vitro studies.

description: Small molecule binding data for protein Orexin receptor 1, Uniprot O43613
DOI: 10.7270/q2dj5gw6
title: BindingDB Entry 50041705: Exploring a pocket for polycycloaliphatic groups in the CXCR3 receptor with the aid of a modular synthetic strategy.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q2fb544f
title: BindingDB Entry 50040970: Discovery of Imidazoquinolines with Toll-Like Receptor 7/8 Independent Cytokine Induction.

description: Small molecule binding data for protein Toll-like receptor 7 (TLR7) and Toll-like receptor 8 (TLR8), Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2ht2qft
title: BindingDB Entry 50040443: Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q2j967mx
title: BindingDB Entry 50041703: 8-[2-(4-Aryl-1-piperazinyl)ethyl]-2H-1,4-benzoxazin-3(4H)-ones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors--part II.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Serotonin and norepinephrine transporters (SERT/NET), and Voltage-gated potassium channel, Uniprot P08908, P28221, P28222, P31645, and Q12809
DOI: 10.7270/q2nk3g43
title: BindingDB Entry 50040442: The antitumor agent doxorubicin binds to Fanconi anemia group F protein.

description: Small molecule binding data for protein Fanconi anemia group F protein, Uniprot Q9NPI8
DOI: 10.7270/q2sb46vd
title: BindingDB Entry 50040441: Active site mapping of trypsin, thrombin and matriptase-2 by sulfamoyl benzamidines.

description: Small molecule binding data for protein Prothrombin and Transmembrane protease serine 6, Uniprot P00734 and Q8IU80
DOI: 10.7270/q2st7r2p
title: BindingDB Entry 50041699: Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating arylsulfonamide groups.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2x34zkr
title: BindingDB Entry 50040440: Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase VIII, Uniprot P27487 and Q6V1X1
DOI: 10.7270/q2z320qh
title: BindingDB Entry 50040044: Head-to-head prenyl tranferases: anti-infective drug targets.

description: Small molecule binding data for protein Dehydrosqualene synthase and Squalene synthetase, Uniprot A9JQL9 and P37268
DOI: 10.7270/q20v8dww
title: BindingDB Entry 50040447: The therapeutic journey of benzimidazoles: a review.

description: Small molecule binding data for protein C-C chemokine receptor type 3 and Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968 and P51677
DOI: 10.7270/q24m95n2
title: BindingDB Entry 50040446: Role of the side chain stereochemistry in thea-glucosidase inhibitory activity of kotalanol, a potent naturala-glucosidase inhibitor. Part 2.

description: Small molecule binding data for protein Acidic alpha-glucosidase and alpha-Glucosidase (α-Glucosidase), Uniprot P23739 and Q6P7A9
DOI: 10.7270/q27w6dft
title: BindingDB Entry 50041716: New insight into the binding mode of peptide ligands at Urotensin-II receptor: structure-activity relationships study on P5U and urantide.

description: Small molecule binding data for protein UTS2R and Urotensin II receptor, Uniprot P49684 and Q9UKP6
DOI: 10.7270/q2cn7543
title: BindingDB Entry 50041715: Predictive models of Cannabinoid-1 receptor antagonists derived from diverse classes.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P21554
DOI: 10.7270/q2f190sq
title: BindingDB Entry 50040048: Discovery of novel 1,2,4-thiadiazole derivatives as potent, orally active agonists of sphingosine 1-phosphate receptor subtype 1 (S1P(1)).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot P05177, P08684, P10635, P11712, P21453, P33261, and Q99500
DOI: 10.7270/q2h996f3
title: BindingDB Entry 50041714: CoMFA and CoMSIA 3D-QSAR studies on S(6)-(4-nitrobenzyl)mercaptopurine riboside (NBMPR) analogs as inhibitors of human equilibrative nucleoside transporter 1 (hENT1).

description: Small molecule binding data for protein Equilibrative Nucleoside Transporter 1 (ENT1), Uniprot Q99808
DOI: 10.7270/q2j38trf
title: BindingDB Entry 50040977: Novel 1,4-benzoxazine and 1,4-benzodioxine inhibitors of angiogenesis.

description: Small molecule binding data for protein Prothrombin and Vascular endothelial growth factor receptor 2, Uniprot P00734 and P35968
DOI: 10.7270/q2mk6f0q
title: BindingDB Entry 50040450: Viridin analogs derived from steroidal building blocks.

description: Small molecule binding data for protein p110α/p85α, Uniprot P27986 and P42336
DOI: 10.7270/q2n29z5f
title: BindingDB Entry 50041713: Discovery and optimisation of a potent and selective tertiary sulfonamide oxytocin antagonist.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P30559, P37288, and P47901
DOI: 10.7270/q2nv9kfd
title: BindingDB Entry 50040976: Effect of daurisoline on HERG channel electrophysiological function and protein expression.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily E member 1 and Voltage-gated potassium channel, Uniprot Q12809 and Q28705
DOI: 10.7270/q2pk0h71
title: BindingDB Entry 50040046: A 20S combined with a 22R configuration markedly increases both in vivo and in vitro biological activity of 1a,25-dihydroxy-22-methyl-2-methylene-19-norvitamin D3.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P13053
DOI: 10.7270/q2rb75pk
title: BindingDB Entry 50040449: Design, synthesis, and structure-activity-relationship of phenyl imidazoles as potent Smoothened antagonists.

description: Small molecule binding data for protein G-protein- coupled-like receptor Smoothened (Smo) and Smoothened homolog, Uniprot P56726 and Q99835
DOI: 10.7270/q2rv0pw0
title: BindingDB Entry 50041712: Studies on a series of potent, orally bioavailable, 5-HT(1) receptor ligands--part II.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, and 5-hydroxytryptamine receptor 1D, Uniprot P08908, P28221, and P28222
DOI: 10.7270/q2sn0b47
title: BindingDB Entry 50040975: PI3Kd and PI3K¿ as targets for autoimmune and inflammatory diseases.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Phosphatidylinositol 3-kinase p110δ (p110δ), Uniprot O00329, O35904, P42336, P42338, and P48736
DOI: 10.7270/q2tb1806
title: BindingDB Entry 50040045: Synthesis and biological evaluation of 4-phenylquinazoline-2-carboxamides designed as a novel class of potent ligands of the translocator protein.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q2w37xdx
title: BindingDB Entry 50040448: Development and characterization of endocannabinoid hydrolases FAAH and MAGL inhibitors bearing a benzotriazol-1-yl carboxamide scaffold.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH) and Monoglyceride Lipase (MGL), Uniprot O00519 and Q99685
DOI: 10.7270/q2wm1fmq
title: BindingDB Entry 50041711: 1,2,3-Triazol-carboxanilides and 1,2,3-triazol-(N-benzyl)-carboxamides as BK-potassium channel activators. XII.

description: Small molecule binding data for protein Calcium-activated potassium channel subunit alpha-1, Uniprot Q62976
DOI: 10.7270/q2x92cgp
title: BindingDB Entry 50040974: Irreversible protein kinase inhibitors: balancing the benefits and risks.

description: Small molecule binding data for protein AKT/p21CIP1, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Insulin-like growth factor I receptor, MAP kinase ERK2, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 1, Receptor tyrosine-protein kinase erbB-4 (HER4), Ribosomal protein S6 kinase alpha 3, Serine/threonine-protein kinase PLK1, Src, Tyrosine-protein kinase BTK, and c-Jun N-terminal kinase, JNK, Uniprot O14733, P00523, P00533, P04626, P08069, P11362, P21802, P22455, P22607, P28482, P31749, P45983, P45984, P45985, P51812, P53350, P53779, Q02750, Q06187, Q13233, and Q15303
DOI: 10.7270/q20c4x03
title: BindingDB Entry 50041718: Topological descriptors in modeling the agonistic activity of human A3 adenosine receptor ligands: the derivatives of 2-chloro-N(6)-substituted-4'-thioadenosine-5'-uronamide.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q2125tt6
title: BindingDB Entry 50040981: Synthesis and pharmacological evaluation of combined Thromboxane receptor antagonists/thromboxane synthase inhibitors: Pyridine-containing amino-prostanoids

description: Small molecule binding data for protein Prostanoid TP receptor, Thromboxane A2 Synthase (P450 TxA2), and Thromboxane A2 receptor, Uniprot P21731, P24557, and P34978
DOI: 10.7270/q21v5g1p
title: BindingDB Entry 50040051: Imidazolopiperazines: lead optimization of the second-generation antimalarial agents.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q23n24h7
title: BindingDB Entry 50040454: Trimeric purine nucleoside phosphorylase: exploring postulated one-third-of-the-sites binding in the transition state.

description: Small molecule binding data for protein Purine Nucleoside Phosphorylase (PNP), Uniprot P55859
DOI: 10.7270/q2445nqd
title: BindingDB Entry 50041717: Further studies at neuropeptide s position 5: discovery of novel neuropeptide S receptor antagonists.

description: Small molecule binding data for protein BDKRB2, Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Neurokinin 1 receptor, Neuropeptide S receptor, Nociceptin receptor, Proteinase-activated receptor 2, and Urotensin II receptor, Uniprot P25103, P30411, P35372, P41143, P41145, P41146, P55085, Q8BZP8, and Q9UKP6
DOI: 10.7270/q25m66r0
title: BindingDB Entry 50040050: Butyl pocket formation in the vitamin D receptor strongly affects the agonistic or antagonistic behavior of ligands.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q27d2w81
title: BindingDB Entry 50040453: Adamantyl carboxamides and acetamides as potent human 11ß-hydroxysteroid dehydrogenase type 1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P28845, and P33261
DOI: 10.7270/q298883v
title: BindingDB Entry 50040049: Novel steroid inhibitors of glucose 6-phosphate dehydrogenase.

description: Small molecule binding data for protein Glucose 6-phosphate dehydrogenase (G6PD), Uniprot P11413
DOI: 10.7270/q2c53n0r
title: BindingDB Entry 50040452: Synthesis of 1,5-diarylhaloimidazole analogs and their inhibitory activities against PGE2 production from LPS-treated RAW 264.7 cells.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2), Uniprot Q05769
DOI: 10.7270/q2fx7bkc
title: BindingDB Entry 50040459: Synthesis, biological evaluation and molecular modeling of dihydro-pyrazolyl-thiazolinone derivatives as potential COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2gx4cp9
title: BindingDB Entry 50040451: Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2js9rhr
title: BindingDB Entry 50040047: Synthesis, structure-activity relationship, and pharmacological studies of novel melanin-concentrating hormone receptor 1 antagonists 3-aminomethylquinolines: reducing human ether-a-go-go-related gene (hERG) associated liabilities.

description: Small molecule binding data for protein GPR24 and Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2kp838n
title: BindingDB Entry 50040458: Elevation of cellular O-GlcNAcylation level by a potent and selective O-GlcNAcase inhibitor based on tetrahydroimidazopyridine scaffold.

description: Small molecule binding data for protein Beta-hexosaminidase subunit alpha (HexA) and N-acetyl-beta-D-glucosaminidase (O-GlcNAcase), Uniprot O60502 and P06865
DOI: 10.7270/q2mw2jb1
title: BindingDB Entry 50040984: Cyclic aryl hydroxamic acids: synthesis and inhibition of 5-lipoxygenase

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q2qv3nrm
title: BindingDB Entry 50041720: Quantitative structure-activity relationship study of serotonin (5-HT7) receptor inhibitors using modified ant colony algorithm and adaptive neuro-fuzzy interference system (ANFIS).

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), Uniprot P34969
DOI: 10.7270/q2rn392r
title: BindingDB Entry 50040983: Synthesis of substrate-based inhibitors of HMG CoA reductase (II).

description: Small molecule binding data for protein HMG-CoA reductase, Uniprot P51639
DOI: 10.7270/q2v40w9j
title: BindingDB Entry 50040456: 2-(4-Chlorophenyl)-2-oxoethyl 4-benzamidobenzoate derivatives, a novel class of SENP1 inhibitors: Virtual screening, synthesis and biological evaluation.

description: Small molecule binding data for protein Sentrin-specific protease 1 (SENP1), Uniprot Q9P0U3
DOI: 10.7270/q2vm4dgb
title: BindingDB Entry 50041719: Non-imidazole histamine H3 ligands, part IV: SAR of 1-[2-thiazol-5-yl-(2-aminoethyl)]-4-n-propylpiperazine derivatives.

description: Small molecule binding data for protein HRH3 and Histamine H1 receptor, Uniprot P31389 and Q9JI35
DOI: 10.7270/q2zw1n1z
title: BindingDB Entry 50040455: Design, synthesis, and bioevaluation of benzamides: novel acetylcholinesterase inhibitors with multi-functions on butylcholinesterase, Aß aggregation, andß-secretase.

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Cholinesterase, Uniprot P06276, P22303, and P56817
DOI: 10.5281/zenodo.3970614
title: Code and data for Assembly rules of helminth parasite communities in grey mullets: combining components of diversity

description: Raw data analysed and a step-by-step summary of the R functions and packages used in Llopis-Belenguer, C., Pavoine, S., Blasco-Costa, I., Antonio Balbuena, J., 2020. Assembly rules of helminth parasite communities in grey mullets: combining components of diversity. International Journal for Parasitology. DOI: 10.1016/j.ijpara.2020.06.006
description: {"references": ["Raw data analysed and a step-by-step summary of the R functions and packages used in Llopis-Belenguer, C., Pavoine, S., Blasco-Costa, I., Antonio Balbuena, J., 2020. Assembly rules of helminth parasite communities in grey mullets: combining components of diversity. International Journal for Parasitology. DOI: 10.1016/j.ijpara.2020.06.006"]}
DOI: 10.7270/q2057h3j
title: BindingDB Entry 50040989: Peptide azoles: A new class of biologically-active dipeptide mmetics.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P30547
DOI: 10.7270/q22n53cv
title: BindingDB Entry 50040462: Identification of a novel Smoothened antagonist that potently suppresses Hedgehog signaling.

description: Small molecule binding data for protein G-protein- coupled-like receptor Smoothened (Smo) and Smoothened homolog, Uniprot P56726 and Q99835
DOI: 10.7270/q26d5v36
title: BindingDB Entry 50040461: Structure-activity relationship studies of 4-benzyl-1H-pyrazol-3-ylß-d-glucopyranoside derivatives as potent and selective sodium glucose co-transporter 1 (SGLT1) inhibitors with therapeutic activity on postprandial hyperglycemia.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1, Sodium/glucose cotransporter 1 (SGLT1), Sodium/glucose cotransporter 2, and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866, P31639, P53790, and P53792
DOI: 10.7270/q26w9cbw
title: BindingDB Entry 50041724: Rational design and synthesis of highly potent pharmacological chaperones for treatment of N370S mutant Gaucher disease.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase), Uniprot P04062
DOI: 10.7270/q27m0932
title: BindingDB Entry 50040987: New TXA2/PGH2 receptor antagonists based on the carbacyclin skeleton

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2b56kvz
title: BindingDB Entry 50040460: Synthesis and structure-activity relationships of 8-substituted-2-aryl-5-alkylaminoquinolines: Potent, orally active corticotropin-releasing factor-1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2bp0425
title: BindingDB Entry 50041723: Discovery process and pharmacological characterization of 2-(S)-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]methylamide (vestipitant) as a potent, selective, and orally active NK1 receptor antagonist.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2cc11vt
title: BindingDB Entry 50040986: Retro-Inverso Tripeptide Renin Inhibitors

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2gf0vrn
title: BindingDB Entry 50041722: 4-Phenyl-7-azaindoles as potent and selective IKK2 inhibitors.

description: Small molecule binding data for protein Aurora kinase A-interacting protein, Aurora kinase B/Inner centromere protein, Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), and Rho-associated protein kinase, Uniprot O14920, O15111, P49841, Q13464, Q96GD4, and Q9NWT8
DOI: 10.7270/q2h41smm
title: BindingDB Entry 50040985: Design and synthesis of novel ligands for the 5-HT3 and the 5-HT4 receptor

description: Small molecule binding data for protein Serotonin 3 receptor (5HT3), Uniprot P23979 and Q9JHJ5
DOI: 10.7270/q2ht2qcx
title: BindingDB Entry 50040055: AM-8553: a novel MDM2 inhibitor with a promising outlook for potential clinical development.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2m61mgc
title: BindingDB Entry 50041721: 2D- and 3D-QSAR of tocainide and mexiletine analogues acting as Na(v)1.4 channel blockers.

description: Small molecule binding data for protein Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), Uniprot P35499
DOI: 10.7270/q2nk3g3n
title: BindingDB Entry 50040054: Preparation of 3-substituted-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amines as RET kinase inhibitors.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Uniprot P07949
DOI: 10.7270/q2pg1st9
title: BindingDB Entry 50040465: Discovery of MK-7725, A Potent, Selective Bombesin Receptor Subtype-3 Agonist for the Treatment of Obesity.

description: Small molecule binding data for protein BRS3, Bombesin receptor subtype-3, and Pregnane X receptor (PXR), Uniprot O54798, O75469, and P32247
DOI: 10.7270/q2qc04mn
title: BindingDB Entry 50040457: Pyrrolidinyl phenylurea derivatives as novel CCR3 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 3, Uniprot P51677
DOI: 10.7270/q2sb46tz
title: BindingDB Entry 50040053: Synthesis and biological evaluation of the first dual tyrosyl-DNA phosphodiesterase I (Tdp1)-topoisomerase I (Top1) inhibitors.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q2t43v6m
title: BindingDB Entry 50040464: Mitigating hERG Inhibition: Design of Orally Bioavailable CCR5 Antagonists as Potent Inhibitors of R5 HIV-1 Replication.

description: Small molecule binding data for protein C-C chemokine receptor type 5 and Voltage-gated potassium channel, Uniprot P51681 and Q12809
DOI: 10.7270/q2wd41rm
title: BindingDB Entry 50040982: Synthesis and pharmacological evaluation of combined thromboxane receptor antagonist/synthase inhibitors: pyridine-containing sulphonamido acids

description: Small molecule binding data for protein Thromboxane-A synthase, Uniprot P24557
DOI: 10.7270/q2x34zj9
title: BindingDB Entry 50040052: Discovery of new inhibitors of Cdc25B dual specificity phosphatases by structure-based virtual screening.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B and phosphatase Cdc25, Uniprot P30304 and P30305
DOI: 10.7270/q2xw4kw5
title: BindingDB Entry 50040463: 2-Arylbenzofuran-based molecules as multipotent Alzheimer's disease modifying agents.

description: Small molecule binding data for protein Acetylcholinesterase, Cannabinoid receptor 1, Cannabinoid receptor 2, and Cholinesterase, Uniprot P06276, P21554, P22303, and P34972
DOI: 10.7270/q20v8dvf
title: BindingDB Entry 50040059: Discovery, oral pharmacokinetics and in vivo efficacy of a highly selective 5-HT4 receptor agonist: clinical compound TD-2749.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4 (5-HT4) and HTR4, Uniprot O70528 and Q13639
DOI: 10.7270/q21n8261
title: BindingDB Entry 50040470: The lipogenesis pathway as a cancer target.

description: Small molecule binding data for protein ATP-citrate synthase, Acetyl-CoA carboxylase 1 (ACC1), Acetyl-CoA carboxylase 2 (ACC2), Fatty acid synthase, and Fatty acid synthase (FAS), Uniprot O00763, P12276, P12785, P16638, P49327, P53396, and Q13085
DOI: 10.7270/q2348mmg
title: BindingDB Entry 50041725: Discovery and biological evaluation of novel cyanoguanidine P2X(7) antagonists with analgesic activity in a rat model of neuropathic pain.

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q23t9jd7
title: BindingDB Entry 50040988: Quaternised renzapride as a potent and selective 5-HT4 receptor agonist

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563, Q62758, and Q9JJ16