cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q25t3n2b
title: BindingDB Entry 50044304: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1).

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, P11712, and P33261
DOI: 10.7270/q2959k11
title: BindingDB Entry 50043798: Bisphenol A binds to Ras proteins and competes with guanine nucleotide exchange: implications for GTPase-selective antagonists.

description: Small molecule binding data for protein GTP-binding protein Rheb and GTPase KRas, Uniprot P01116 and Q15382
DOI: 10.7270/q29k4csn
title: BindingDB Entry 50044303: Identification of tertiary sulfonamides as RORc inverse agonists.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma, Uniprot P35398, P51449, P55055, Q13133, Q6I9R9, and Q92753
DOI: 10.7270/q29s1sm9
title: BindingDB Entry 50044839: Discovery and optimization of an azetidine chemical series as a free fatty acid receptor 2 (FFA2) antagonist: from hit to clinic.

description: Small molecule binding data for protein Free fatty acid receptor 2, Uniprot O15552
DOI: 10.7270/q2cz38dh
title: BindingDB Entry 50041595: 2-tert-butyl-8-quinolinamines exhibit potent blood schizontocidal antimalarial activity via inhibition of heme crystallization.

description: Small molecule binding data for protein Histidine-rich protein, Uniprot P05227
DOI: 10.7270/q2fb54gx
title: BindingDB Entry 50044302: Discovery of substituted benzamides as follicle stimulating hormone receptor allosteric modulators.

description: Small molecule binding data for protein Follicle stimulating hormone receptor, Uniprot P23945
DOI: 10.7270/q2fj2jcg
title: BindingDB Entry 50044838: Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q2gx4cvj
title: BindingDB Entry 50042198: Spiropiperidines as high-affinity, selective sigma ligands.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Sigma, Uniprot P61169 and Q99720
DOI: 10.7270/q2hq4147
title: BindingDB Entry 50041594: Alpha2-adrenoreceptors profile modulation. 4. From antagonist to agonist behavior.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, and Alpha-2C adrenergic receptor, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q2hq41bx
title: BindingDB Entry 50043208: TBA

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase IV, Uniprot P22411 and P27487
DOI: 10.7270/q2j38txp
title: BindingDB Entry 50042728: In vitro activity of scorpiand-like azamacrocycle derivatives in promastigotes and intracellular amastigotes of Leishmania infantum and Leishmania braziliensis.

description: Small molecule binding data for protein Superoxide dismutase, Uniprot P00441
DOI: 10.7270/q2k075tc
title: BindingDB Entry 50044301: Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Epidermal growth factor receptor, Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, Interleukin-1 receptor-associated kinase 4, JAK3/JAK1, MAP kinase-activated protein kinase 2, MAP kinase-activated protein kinase 3, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase TEC, Tyrosine-protein kinase TXK (TXK), Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Voltage-gated potassium channel, Uniprot O14920, O15111, O60674, P00533, P06213, P08069, P08684, P10632, P10635, P11712, P12931, P33261, P35991, P36888, P42680, P42681, P49137, P49841, P51813, P52333, Q06187, Q08881, Q12809, Q16644, and Q9NWZ3
DOI: 10.7270/q2k9394n
title: BindingDB Entry 50044837: SAR studies on tetrahydroisoquinoline derivatives: the role of flexibility and bioisosterism to raise potency and selectivity toward P-glycoprotein.

description: Small molecule binding data for protein Multidrug resistance-associated protein 1 and P-glycoprotein 1, Uniprot P08183 and P33527
DOI: 10.7270/q2mp54k8
title: BindingDB Entry 50042197: Benz[f]isoquinoline analogues as high-affinity sigma ligands.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Sigma, Uniprot P61169 and Q99720
DOI: 10.7270/q2nc62f7
title: BindingDB Entry 50041593: Discovery of brain penetrant, soluble, pyrazole amide EP1 receptor antagonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP1 subtype (EP1), Uniprot P34995
DOI: 10.7270/q2nc62pc
title: BindingDB Entry 50043803: Design, synthesis, and biological evaluation of 1-phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3ß inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q2ng4s28
title: BindingDB Entry 50043207: TBA

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 and Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907 and Q9Z2A7
DOI: 10.7270/q2nv9kk6
title: BindingDB Entry 50042727: Characterization of a selective CaMKII peptide inhibitor.

description: Small molecule binding data for protein CAMK2A, Uniprot Q9UQM7
DOI: 10.7270/q2rf5wb2
title: BindingDB Entry 50042196: Synthesis and pharmacology of the enantiomers of cis-7-hydroxy-3-methyl-2-(dipropylamino)tetralin.

description: Small molecule binding data for protein DRD2, Uniprot P20288
DOI: 10.7270/q2s46tf5
title: BindingDB Entry 50043802: Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2), Uniprot Q9UGN5
DOI: 10.7270/q2s75hr4
title: BindingDB Entry 50043206: TBA

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2sn0b9g
title: BindingDB Entry 50042726: Phosphorothioate analogs of sn-2 radyl lysophosphatidic acid (LPA): metabolically stabilized LPA receptor agonists.

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1 (LPAR1), Lysophosphatidic acid receptor 3 (LPAR3), Lysophosphatidic acid receptor 4, Lysophosphatidic acid receptor 5 (LPA5), Lysophosphatidic acid receptor 6, and Lysophosphatidic acid receptor Edg-4, Uniprot P43657, Q92633, Q99677, Q9H1C0, Q9HBW0, and Q9UBY5
DOI: 10.7270/q2w66n37
title: BindingDB Entry 50042195: 2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 10. 2,4-Diamino-5-(6-quinolylmethyl)- and -[(tetrahydro-6-quinolyl)methyl]pyrimidine derivatives. Further specificity studies.

description: Small molecule binding data for protein Dihydrofolate reductase and Dihydrofolate reductase type 1, Uniprot P00382, P04174, and Q920D2
DOI: 10.7270/q2ww7jwk
title: BindingDB Entry 50041591: QSAR study on a novel series of 8-azaadenine analogues proposed as A1 adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot P28190
DOI: 10.7270/q2ww7k5k
title: BindingDB Entry 50043801: Piperazine oxadiazole inhibitors of acetyl-CoA carboxylase.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1), Acetyl-CoA carboxylase 2, Acetyl-CoA carboxylase 2 (ACC2), Acetyl-Coenzyme A carboxylase, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot E9Q4Z2, O00763, P08684, P10635, Q13085, and Q5SWU9
DOI: 10.7270/q2x068fd
title: BindingDB Entry 50043205: TBA

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form and Liver glycogen phosphorylase, Uniprot P00489 and P09811
DOI: 10.7270/q2x92cvm
title: BindingDB Entry 50044306: a-Ketoheterocycle inhibitors of fatty acid amide hydrolase: exploration of conformational constraints in the acyl side chain.

description: Small molecule binding data for protein Abhydrolase Domain-Containing Protein 6, Anandamide amidohydrolase, Fatty-acid amide hydrolase 1 (FAAH), KIAA1363, and Monoglyceride Lipase (MGL), Uniprot O00519, O08914, O35678, P97612, Q8BLF1, and Q8R2Y0
DOI: 10.7270/q2xd1316
title: BindingDB Entry 50042725: Synthesis of tartaric acid analogues of FR258900 and their evaluation as glycogen phosphorylase inhibitors.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL) and Glycogen phosphorylase, muscle form, Uniprot P00489 and P06737
DOI: 10.7270/q2zg6tvj
title: BindingDB Entry 50044834: Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Protein phosphatase 1G, Protein phosphatase 2C alpha, Protein phosphatase Slingshot homolog 2, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase MEG2 (PTP-Meg2), Tyrosine-protein phosphatase non-receptor type 18, Tyrosine-protein phosphatase non-receptor type 22, and tyrosine-protein phosphatase non-receptor type 5 isoform a, Uniprot O15355, P18031, P35813, P43378, P51452, P54829, Q99952, and Q9Y2R2
DOI: 10.7270/q20003d7
title: BindingDB Entry 50042202: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide.

description: Small molecule binding data for protein HTR4, Uniprot O70528
DOI: 10.7270/q20p11h1
title: BindingDB Entry 50043808: Activation and inhibition of thermosensitive TRP channels by voacangine, an alkaloid present in Voacanga africana, an African tree.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 8, and Transient receptor potential cation channel subfamily V member 1, Uniprot O75762, Q8NER1, and Q8R4D5
DOI: 10.7270/q20r9qt2
title: BindingDB Entry 50043212: TBA

description: Small molecule binding data for protein Casein Kinase II, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Homeodomain-interacting protein kinase 2 (HIPK2), and Serine/threonine-protein kinase PIM, Uniprot O43781, P68400, Q86V86, and Q9H2X6
DOI: 10.7270/q2154jd5
title: BindingDB Entry 50042732: Synthetic approaches to DNMT inhibitor SGI-1027 and effects on the U937 leukemia cell line.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1 (DNMT1), Uniprot P26358
DOI: 10.7270/q228096d
title: BindingDB Entry 50044841: Discovery of 2-(cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as a new series of potent phosphodiesterase 7 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 7 and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343 and Q13946
DOI: 10.7270/q23r0v5q
title: BindingDB Entry 50042201: A steric and electrostatic comparison of three models for the agonist/antagonist binding site on the adenosine A1 receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q24f1s7c
title: BindingDB Entry 50043807: Cytotoxic and protein kinase inhibiting nakijiquinones and nakijiquinols from the sponge Dactylospongia metachromia.

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, AXL receptor tyrosine kinase, Aurora kinase B/Inner centromere protein, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, NUAK family SNF1-like kinase 1, Protein kinase N1, Serine/threonine-protein kinase NEK6, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PIM, and Serine/threonine-protein kinase PLK1, Uniprot O60285, P08069, P08581, P11309, P30530, P31749, P51955, P53350, Q05397, Q16512, Q96GD4, Q9HC98, and Q9UM73
DOI: 10.7270/q24j0ghw
title: BindingDB Entry 50043211: TBA

description: Small molecule binding data for protein Probable G-protein coupled receptor 142, Uniprot Q7Z601
DOI: 10.7270/q24x5951
title: BindingDB Entry 50042731: Synthesis and biological evaluation of guanidino analogues of roscovitine.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P06493 and P14635
DOI: 10.7270/q26111w8
title: BindingDB Entry 50044840: Synthesis, biological evaluation, and 3D QSAR study of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters as N-acylethanolamine acid amidase (NAAA) inhibitors.

description: Small molecule binding data for protein N-acylethanolamine-hydrolyzing acid amidase (NAAA), Uniprot Q5KTC7
DOI: 10.7270/q2765gk5
title: BindingDB Entry 50041611: Structure-activity relationships of new inhibitors of breast cancer resistance protein (ABCG2).

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q27d2wf8
title: BindingDB Entry 50042200: Synthesis of halogenated trimetoquinol derivatives and evaluation of their beta-agonist and thromboxane A2 (TXA2) antagonist activities.

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2862hqj
title: BindingDB Entry 50041596: QSAR prediction of inhibition of aldose reductase for flavonoids.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2862hws
title: BindingDB Entry 50043210: TBA

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2862hzp
title: BindingDB Entry 50043806: Structurally diverse low molecular weight activators of the mammalian pre-mRNA 3' cleavage reaction.

description: Small molecule binding data for protein Protein phosphatase 1D, Uniprot O15297
DOI: 10.7270/q28k7bn8
title: BindingDB Entry 50044311: Structure-activity relationship-guided development of retinoic acid receptor-related orphan receptor gamma (ROR¿)-selective inverse agonists with a phenanthridin-6(5H)-one skeleton from a liver X receptor ligand.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma, Uniprot P35398, P51449, P55055, Q13133, Q6I9R9, and Q92753
DOI: 10.7270/q28p61wb
title: BindingDB Entry 50042730: Mexican antidiabetic herbs: valuable sources of inhibitors ofa-glucosidases.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q2c53n4j
title: BindingDB Entry 50042199: Histamine H2-receptor agonists. Synthesis, in vitro pharmacology, and qualitative structure-activity relationships of substituted 4- and 5-(2-aminoethyl)thiazoles.

description: Small molecule binding data for protein Histamine H2 receptor, Uniprot P47747
DOI: 10.7270/q2cz38kr
title: BindingDB Entry 50043209: TBA

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), Histone deacetylase 8, SRC, Tyrosine-protein kinase ABL1, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot A0A024QZ26, O15379, P00519, P08631, P12931, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2cz38p3
title: BindingDB Entry 50043805: Structure-activity relationship of adenosine 5'-diphosphoribose at the transient receptor potential melastatin 2 (TRPM2) channel: rational design of antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 2, Uniprot O94759
DOI: 10.7270/q2db83df
title: BindingDB Entry 50044310: Novel derivatives of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) with improved fluorescent ands receptors binding properties.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2df6sjs
title: BindingDB Entry 50042729: Discovery and optimization of a novel series of potent mutant B-Raf(V600E) selective kinase inhibitors.

description: Small molecule binding data for protein C-RAF and RAF serine/threonine protein kinase, Uniprot P04049 and P15056
DOI: 10.7270/q2hq41dt
title: BindingDB Entry 50043804: Development of 1,8-naphthalimides as clathrin inhibitors.

description: Small molecule binding data for protein Clathrin heavy chain 1, Uniprot Q00610
DOI: 10.7270/q2j38v3b
title: BindingDB Entry 50044309: Discovery of a neuroprotective chemical, (S)-N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with improved druglike properties.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Mu-type opioid receptor, and Translocator protein, Uniprot P05177, P30536, P33261, and P35372
DOI: 10.7270/q2j96808
title: BindingDB Entry 50044845: Discovery heralds new approach to the treatment of cystic fibrosis.

description: Small molecule binding data for protein CFTR, Uniprot P13569
DOI: 10.7270/q2mg7qqs
title: BindingDB Entry 50041603: Discovery of novel and long acting muscarinic acetylcholine receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, and Voltage-gated potassium channel, Uniprot P05177, P08172, P08684, P10635, P11229, P11712, P20309, P33261, and Q12809
DOI: 10.7270/q2ns0wgg
title: BindingDB Entry 50044308: Indirubin core structure of glycogen synthase kinase-3 inhibitors as novel chemotype for intervention with 5-lipoxygenase.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2p270r1
title: BindingDB Entry 50044844: Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90.

description: Small molecule binding data for protein Pyruvate dehydrogenase kinase 3 (PDK3), Pyruvate dehydrogenase kinase 4 (PDK4), Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), and Pyruvate dehydrogenase kinase isoform 2 (PDHK2), Uniprot Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q2qf8v57
title: BindingDB Entry 50042204: Conformational analysis, pharmacophore identification, and comparative molecular field analysis of ligands for the neuromodulatory sigma 3 receptor.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2r49s16
title: BindingDB Entry 50041602: Novel 1,4-benzothiazine derivatives as large conductance Ca2+-activated potassium channel openers.

description: Small molecule binding data for protein Calcium-activated potassium channel subunit alpha-1, Uniprot Q62976
DOI: 10.7270/q2rn396j
title: BindingDB Entry 50042734: Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2sj1n5r
title: BindingDB Entry 50044307: Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.

description: Small molecule binding data for protein Penicillin-binding protein 1A, Uniprot Q07806
DOI: 10.7270/q2st7rg2
title: BindingDB Entry 50044843: Chroman-4-one- and chromone-based sirtuin 2 inhibitors with antiproliferative properties in cancer cells.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6
DOI: 10.7270/q2v69kwj
title: BindingDB Entry 50042203: Synthesis and biological activity of 3-[2-(dimethylamino)ethyl]-5-[(1,1-dioxo-5-methyl-1,2,5-thiadiazolidin- 2-yl)-methyl]-1H-indole and analogues: agonists for the 5-HT1D receptor.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Serotonin 1d (5-HT1d) receptor, Uniprot P14842, P47898, and P79400
DOI: 10.7270/q2vx0hrr
title: BindingDB Entry 50041599: In silico prediction of novel phosphodiesterase type-5 inhibitors derived from Sildenafil, Vardenafil and Tadalafil.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2w097cx
title: BindingDB Entry 50043213: TBA

description: Small molecule binding data for protein Serine/threonine-protein kinase ATR, Uniprot Q13535
DOI: 10.7270/q2wd41xv
title: BindingDB Entry 50042733: The synthesis and SAR of calcitonin gene-related peptide (CGRP) receptor antagonists derived from tyrosine surrogates. Part 2.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P33261, and Q16602
DOI: 10.7270/q2xk8h5b
title: BindingDB Entry 50044842: Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 2, Epidermal growth factor receptor, JAK2/TYK2, Tyrosine-protein kinase JAK2, and Vascular endothelial growth factor receptor 2, Uniprot O60674, P00533, P04626, P21860, P24941, P29597, P35968, Q15303, and Q96GD4
DOI: 10.7270/q2125v6j
title: BindingDB Entry 50044313: From virtual to clinical: The discovery of PGN-1531, a novel antagonist of the prostanoid EP4 receptor.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P35408
DOI: 10.7270/q21c1zgz
title: BindingDB Entry 50044849: Dicarba analogues ofa-conotoxin RgIA. Structure, stability, and activity at potential pain targets.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P36544
DOI: 10.7270/q23f4qww
title: BindingDB Entry 50041612: Dopamine/serotonin receptor ligands. Part 17: a cross-target SAR approach: affinities of azecine-styled ligands for 5-HT(2A) versus D1 and D2 receptors.

description: Small molecule binding data for protein 5-HT2, Dopamine D1 and D2 receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, and P50129
DOI: 10.7270/q23f4r4f
title: BindingDB Entry 50043815: Optimization, pharmacophore modeling and 3D-QSAR studies of sipholanes as breast cancer migration and proliferation inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase BRK, Uniprot Q13882
DOI: 10.7270/q24t6kxj
title: BindingDB Entry 50044312: RE12 derivatives displaying Vaccinia H1-related phosphatase (VHR) inhibition in the presence of detergent and their anti-proliferative activity against HeLa cells.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Uniprot P51452