cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2vm4c5w
title: BindingDB Entry 50028385: Design and synthesis of isoform-selective phospholipase D (PLD) inhibitors. Part I: Impact of alternative halogenated privileged structures for PLD1 specificity.

description: Small molecule binding data for protein Phospholipase D (PLD) and Phospholipase D2 (PLD2), Uniprot O14939 and Q13393
DOI: 10.7270/q2vt1s67
title: BindingDB Entry 50030654: Design, synthesis and biological evaluation of a bivalent micro opiate and adenosine A1 receptor antagonist.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Mu-type opioid receptor, Uniprot P29274, P30542, and P35372
DOI: 10.7270/q2ww7hgs
title: BindingDB Entry 50026500: T-type Ca2+ channel blockers suppress the growth of human cancer cells.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q2xp74wv
title: BindingDB Entry 50029629: TBA

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2zp463j
title: BindingDB Entry 50029616: TBA

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, and Neurokinin 3 receptor, Uniprot P21452, P25103, and P29371
DOI: 10.7270/q21g0m6w
title: BindingDB Entry 50029640: TBA

description: Small molecule binding data for protein Calpain1/2, Cathepsin (B and K), and Cathepsin L1, Uniprot P07384, P07711, and P07858
DOI: 10.7270/q23b606z
title: BindingDB Entry 50030663: Discovery and pharmacological characterization of aryl piperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1A partial agonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P08908, P23975, P31645, and Q01959
DOI: 10.7270/q23f4pfn
title: BindingDB Entry 50026539: Synthesis and activity of N-cyanoguanidine-piperazine P2X7 antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q2571bzn
title: BindingDB Entry 50029639: TBA

description: Small molecule binding data for protein Cannabinoid receptor and Prostaglandin-H2 D-isomerase, Uniprot O09114, P20272, and Q9QZN9
DOI: 10.7270/q25x28t9
title: BindingDB Entry 50028428: Synthesis of protein tyrosine phosphatase 1B inhibitors: model validation and docking studies.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q26t0mhx
title: BindingDB Entry 50028397: Oxadiazole-diarylpyrazole 4-carboxamides as cannabinoid CB1 receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272 and P34972
DOI: 10.7270/q2736qzb
title: BindingDB Entry 50030661: Synthesis and evaluation of D-gluco-pyranocyclopropyl amines as potential glucosidase inhibitors.

description: Small molecule binding data for protein Beta-glucosidase and Lysosomal alpha-glucosidase, Uniprot P10253 and Q9HCG7
DOI: 10.7270/q2765f4x
title: BindingDB Entry 50026537: Design and optimization of aniline-substituted tetrahydroquinoline C5a receptor antagonists.

description: Small molecule binding data for protein C5a anaphylatoxin chemotactic receptor (C5aR), Uniprot P21730
DOI: 10.7270/q29023r8
title: BindingDB Entry 50029638: TBA

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q29k4b38
title: BindingDB Entry 50028427: Inhibitors of potassium channels KV1.3 and IK-1 as immunosuppressants.

description: Small molecule binding data for protein Intermediate conductance calcium-activated potassium channel protein 4 and Voltage-gated potassium channel, Uniprot O15554 and P22001
DOI: 10.7270/q2br8s8f
title: BindingDB Entry 50030660: Synthesis and biological evaluation of heterocyclic ring-substituted maslinic acid derivatives as novel inhibitors of protein tyrosine phosphatase 1B.

description: Small molecule binding data for protein Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P29350, and Q06124
DOI: 10.7270/q2bz65vx
title: BindingDB Entry 50026535: Oxidative inactivation of protein tyrosine phosphatase 1B by organic hydroperoxides.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2dr2vg9
title: BindingDB Entry 50029633: TBA

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08254, P14780, and P22894
DOI: 10.7270/q2fb52s4
title: BindingDB Entry 50028419: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor.

description: Small molecule binding data for protein Beta amyloid A4 protein, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase III, Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Endopeptidase prolyl oligopeptidase (PREP), Fibroblast activation protein alpha, and Voltage-gated potassium channel, Uniprot P05067, P05177, P08684, P10635, P11712, P14740, P27487, P33261, P48147, Q12809, Q12884, Q6V1X1, Q86TI2, Q9NY33, and Q9UHL4
DOI: 10.7270/q2fj2gvx
title: BindingDB Entry 50030669: 5-Aryl indanones and derivatives as non-steroidal progesterone receptor modulators.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2gh9j1m
title: BindingDB Entry 50030658: 14beta-Arylpropiolylamino-17-cyclopropylmethyl-7,8-dihydronormorphinones and related opioids. Further examples of pseudoirreversible mu opioid receptor antagonists.

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/q2gq6xk8
title: BindingDB Entry 50026528: Discovery of novel and potent aryl diamines as leukotriene A4 hydrolase inhibitors.

description: Small molecule binding data for protein Leukotriene A4 hydrolase, Uniprot P09960
DOI: 10.7270/q2jh3m44
title: BindingDB Entry 50029632: TBA

description: Small molecule binding data for protein Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08254, and P22894
DOI: 10.7270/q2k35thg
title: BindingDB Entry 50028418: Selective, potent PPARgamma agonists with cyclopentenone core structure.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2k937kn
title: BindingDB Entry 50030668: Design and synthesis of 6-oxo-1,6-dihydropyridines as CDK5 inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Uniprot Q00535 and Q15078
DOI: 10.7270/q2kh0n55
title: BindingDB Entry 50026552: Synthesis, biological evaluation, and enzyme docking simulations of 1,5-diarylpyrrole-3-alkoxyethyl ethers as selective cyclooxygenase-2 inhibitors endowed with anti-inflammatory and antinociceptive activity.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Cyclooxygenase-2 (COX-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437, P23219, P35354, and Q05769
DOI: 10.7270/q2mg7p90
title: BindingDB Entry 50026520: Ribose-modified purine nucleosides as ribonucleotide reductase inhibitors. Synthesis, antitumor activity, and molecular modeling of N6-substituted 3'-C-methyladenosine derivatives.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q2p55nh1
title: BindingDB Entry 50029631: TBA

description: Small molecule binding data for protein Matrix metalloproteinase-1 (MMP1), Uniprot P03956
DOI: 10.7270/q2pv6k7w
title: BindingDB Entry 50028412: Synthesis and evaluation of lysine derived sulfamides as histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot A0A024QZ26, Q13547, and Q9UBN7
DOI: 10.7270/q2q2409c
title: BindingDB Entry 50030667: Inhibitors for human glutaminyl cyclase by structure based design and bioisosteric replacement.

description: Small molecule binding data for protein Glutaminyl Cyclase, Uniprot Q16769
DOI: 10.7270/q2r49qkj
title: BindingDB Entry 50026518: SAR, pharmacokinetics, safety, and efficacy of glucokinase activating 2-(4-sulfonylphenyl)-N-thiazol-2-ylacetamides: discovery of PSN-GK1.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2rx9c2m
title: BindingDB Entry 50029644: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2sx6d60
title: BindingDB Entry 50029630: TBA

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2tm7b02
title: BindingDB Entry 50028410: Identification of potent pyrimidine inhibitors of phosphodiesterase 7 (PDE7) and their ability to inhibit T cell proliferation.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2tt4r1d
title: BindingDB Entry 50030666: Structural basis for the inhibitor recognition of human Lyn kinase domain.

description: Small molecule binding data for protein SRC, Uniprot P06239, P06241, and P07948
DOI: 10.7270/q2vx0g9h
title: BindingDB Entry 50026516: Progesterone receptor antagonists with a 3-phenylquinazoline-2,4-dione/2-phenylisoquinoline-1,3-dione skeleton.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2wq03r1
title: BindingDB Entry 50029641: TBA

description: Small molecule binding data for protein Calpain 1/small subunit 1, Uniprot P04632 and P07384
DOI: 10.7270/q2zc82rt
title: BindingDB Entry 50028406: Discovery of 6-({4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl}methyl)quinoxaline (WAY-207024): an orally active antagonist of the gonadotropin releasing hormone receptor (GnRH-R).

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Gonadotropin-releasing hormone receptor, Histamine H2 Receptor, and Neurokinin 2 receptor, Uniprot P21452, P25021, P30968, and P30969
DOI: 10.7270/q2zk5grq
title: BindingDB Entry 50030665: Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.

description: Small molecule binding data for protein CREB-binding protein/p53 and E3 ubiquitin-protein ligase Mdm2, Uniprot P04637 and Q00987
DOI: 10.7270/q2zp45xw
title: BindingDB Entry 50026542: Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.

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), 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Muscarinic acetylcholine receptor M1, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Transporter, Uniprot P08908, P11229, P14416, P21728, P21917, P28223, P28335, P31645, P35367, P35462, P41595, P50406, and Q01959
DOI: 10.7270/q20g3k4d
title: BindingDB Entry 50029652: TBA

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Retinoid X receptor gamma/retinoic acid receptor alpha, and Retinoid receptor, Uniprot P10276, P10826, P13631, and P19793
DOI: 10.7270/q2154gx2
title: BindingDB Entry 50028450: N-Hydroxy-(4-oxime)-cinnamide: a versatile scaffold for the synthesis of novel histone deacetylase [correction of deacetilase] (HDAC) inhibitors.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2251j39
title: BindingDB Entry 50028430: Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1.

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P23975, P31645, P46098, Q01959, and Q12809
DOI: 10.7270/q22b8z3n
title: BindingDB Entry 50030672: beta-Lactams derived from a carbapenem chiron are selective inhibitors of human fatty acid amide hydrolase versus human monoacylglycerol lipase.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH) and Monoglyceride Lipase (MGL), Uniprot O00519 and Q99685
DOI: 10.7270/q22f7n7c
title: BindingDB Entry 50026563: Selective angiotensin II AT2 receptor agonists: Benzamide structure-activity relationships.

description: Small molecule binding data for protein AGTR1 and Type-1 angiotensin II receptor, Uniprot P25095 and P30555
DOI: 10.7270/q24749t8
title: BindingDB Entry 50029650: TBA

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q24x57px
title: BindingDB Entry 50028449: Discovery of 5-pyrrolopyridinyl-2-thiophenecarboxamides as potent AKT kinase inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Epidermal growth factor receptor, Glycogen synthase kinase-3, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Protein kinase C alpha type, Rho-associated protein kinase, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase PIM, and Tyrosine-protein kinase SYK, Uniprot P00533, P11309, P17252, P31749, P31751, P43405, P49137, P49841, Q13464, Q16539, and Q9Y243
DOI: 10.7270/q2639ptz
title: BindingDB Entry 50030671: Identification of death-associated protein kinases inhibitors using structure-based virtual screening.

description: Small molecule binding data for protein Casein kinase I isoform delta, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Fibroblast growth factor receptor 1, MAP kinase ERK2, Serine/threonine-protein kinase Sgk1, and Vascular endothelial growth factor receptor 2, Uniprot O00141, P11362, P28482, P35968, P48730, and Q13627
DOI: 10.7270/q2668d0j
title: BindingDB Entry 50026562: Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site.

description: Small molecule binding data for protein Lysosomal alpha-mannosidase, Uniprot O00754
DOI: 10.7270/q28052kf
title: BindingDB Entry 50029649: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease and Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q28p60c6
title: BindingDB Entry 50028442: Novel 2- and 4-substituted 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric modulators of the A3 adenosine receptor.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q28w3ddj
title: BindingDB Entry 50030678: Discovery of a novel Her-1/Her-2 dual tyrosine kinase inhibitor for the treatment of Her-1 selective inhibitor-resistant non-small cell lung cancer.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, C-RAF, Cyclin-dependent kinase 2, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Protein kinase C alpha type, Receptor tyrosine-protein kinase erbB-4 (HER4), SRC, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00519, P00533, P04049, P04626, P06239, P07949, P08069, P08581, P09619, P10721, P11362, P12931, P16234, P17252, P17948, P21802, P24941, P28482, P31749, P35916, P35968, P36888, Q15303, and Q96GD4
DOI: 10.7270/q29w0fjx
title: BindingDB Entry 50030670: Use of 5-hydroxy-4H-benzo[1,4]oxazin-3-ones as beta2-adrenoceptor agonists.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot P07550 and P08588
DOI: 10.7270/q29z94qj
title: BindingDB Entry 50026560: Synthesis and adrenolytic activity of 1-(1H-indol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol and its enantiomers. Part 1.

description: Small molecule binding data for protein Adrenergic receptor beta, Uniprot P18090
DOI: 10.7270/q2cr5tbx
title: BindingDB Entry 50029648: TBA

description: Small molecule binding data for protein Trehalase, Uniprot O43280
DOI: 10.7270/q2db81r3
title: BindingDB Entry 50028441: Selective 5-hydroxytryptamine 2C receptor agonists derived from the lead compound tranylcypromine: identification of drugs with antidepressant-like action.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P28223, P28335, P31645, P41595, and Q01959
DOI: 10.7270/q2dn4548
title: BindingDB Entry 50030677: Synthesis and evaluation of a new generation of orally efficacious benzimidazole-based poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors as anticancer agents.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2fq9wfw
title: BindingDB Entry 50026555: Synthesis, structure-activity relationships, and biological profiles of a quinazolinone class of histamine H3 receptor inverse agonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine H1 receptor, Histamine H2 Receptor, Histamine H3 receptor, Histamine receptor (H3), Histamine receptor (H4), Histamine receptor H3, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11509, P11712, P25021, P33261, P35367, Q12809, Q865E1, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2hh6k2n
title: BindingDB Entry 50029647: TBA

description: Small molecule binding data for protein Squalene monooxygenase, Uniprot P52020 and Q14534
DOI: 10.7270/q2j38sf0
title: BindingDB Entry 50028439: Discovery of 2-(5-nitrothiazol-2-ylthio)benzo[d]thiazoles as novel c-Jun N-terminal kinase inhibitors.

description: Small molecule binding data for protein Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA and Mitogen-activated protein kinase 14, Uniprot P09958 and Q16539
DOI: 10.7270/q2j966f8
title: BindingDB Entry 50030676: Identification of novel, selective, and stable inhibitors of class II histone deacetylases. Validation studies of the inhibition of the enzymatic activity of HDAC4 by small molecules as a novel approach for cancer therapy.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot A0A024QZ26, Q13547, and Q9UBN7
DOI: 10.7270/q2m908pk
title: BindingDB Entry 50029656: TBA

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q2n879rh
title: BindingDB Entry 50029646: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2nv9j4z
title: BindingDB Entry 50028438: Discovery of potent and orally active 3-alkoxy-5-phenoxy-N-thiazolyl benzamides as novel allosteric glucokinase activators.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2p26z5m
title: BindingDB Entry 50030675: Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia.

description: Small molecule binding data for protein Calcium channel (Type L), Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Voltage-gated calcium channel, Voltage-gated potassium channel, Voltage-gated potassium channel subunit Kv1.5, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P08684, P10635, P11712, P22001, P22460, Q01668, Q09470, Q12809, Q13936, Q14524, and Q9UK17
DOI: 10.7270/q2q81cwg
title: BindingDB Entry 50026550: Synthesis of new arylpiperazinylalkylthiobenzimidazole, benzothiazole, or benzoxazole derivatives as potent and selective 5-HT1A serotonin receptor ligands.

description: Small molecule binding data for protein DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Serotonin (5-HT) receptor, Uniprot P14842, P18901, P19327, and P61169
DOI: 10.7270/q2sn08vt
title: BindingDB Entry 50028432: QSAR analysis of pyrazolidine-3,5-diones derivatives as Dyrk1A inhibitors.

description: Small molecule binding data for protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot Q13627
DOI: 10.7270/q2st7pwm
title: BindingDB Entry 50030674: Binding ensemble profiling with photoaffinity labeling (BEProFL) approach: mapping the binding poses of HDAC8 inhibitors.

description: Small molecule binding data for protein Histone deacetylase 8, Uniprot Q9BY41
DOI: 10.7270/q2t153fc
title: BindingDB Entry 50026565: Discovery of conformationally rigid 3-azabicyclo[3.1.0]hexane-derived dipeptidyl peptidase-IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Endopeptidase prolyl oligopeptidase (PREP), Uniprot P27487, P48147, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2tx3f6k
title: BindingDB Entry 50026543: Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2xd11kj
title: BindingDB Entry 50028431: Synthesis and evaluation of arylalkoxy- and biarylalkoxy-phenylamide and phenylimidazoles as potent and selective sphingosine-1-phosphate receptor subtype-1 agonists.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95977, P21453, Q99500, and Q9H228