cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2cc121g
title: BindingDB Entry 50042559: Synthesis of novel estrogen receptor antagonists using metal-catalyzed coupling reactions and characterization of their biological activity.

description: Small molecule binding data for protein Estrogen-related receptor alpha and Estrogen-related receptor beta, Uniprot P11474
DOI: 10.7270/q2d79cjw
title: BindingDB Entry 50040800: The use of novel C-methylated spermidine derivatives to investigate the regulation of polyamine metabolism.

description: Small molecule binding data for protein Sulfate anion transporter 1, Uniprot P58735
DOI: 10.7270/q2dr2wxj
title: BindingDB Entry 50043054: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2ft8nb9
title: BindingDB Entry 50042028: Molecular identification of the corticosterone-sensitive extraneuronal catecholamine transporter.

description: Small molecule binding data for protein Solute carrier family 22 member 3, Uniprot O75751
DOI: 10.7270/q2ft8nhj
title: BindingDB Entry 50043611: TBA

description: Small molecule binding data for protein Pregnane X receptor (PXR), Uniprot O75469
DOI: 10.7270/q2g73g7f
title: BindingDB Entry 50044116: Design, synthesis and biological evaluation of novel aminomethyl-piperidones based DPP-IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2gm88jp
title: BindingDB Entry 50041291: Characterization of the binding site of the histamine H(3) receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide.

description: Small molecule binding data for protein HRH3, Uniprot Q9JI35
DOI: 10.7270/q2h41ssv
title: BindingDB Entry 50042558: A potent and highly efficacious Bcl-2/Bcl-xL inhibitor.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2j1049m
title: BindingDB Entry 50040799: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymph

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot O60674, P05177, P08684, P10635, P11712, P23458, P29597, P33261, P36888, and P52333
DOI: 10.7270/q2jh3nkc
title: BindingDB Entry 50043053: Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds.

description: Small molecule binding data for protein BDKRB2, Dopamine receptor D2L/neurotensin receptor NTS1, GALR1, Galanin receptor 2, Glucocorticoid receptor, Histamine H1 receptor, Histamine H2 Receptor, Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nociceptin receptor, Prostanoid IP receptor, Serotonin 3 (5-HT3) receptor, and VIPR1, Uniprot O43603, P04150, P14416, P21452, P25021, P25103, P25929, P29371, P30411, P30989, P32241, P35367, P41146, P43119, P46098, P47211, and P49146
DOI: 10.7270/q2kh0psn
title: BindingDB Entry 50043610: TBA

description: Small molecule binding data for protein Proteinase-activated receptor 1 (PAR1), Uniprot P25116
DOI: 10.7270/q2kk9d21
title: BindingDB Entry 50042027: Selective substrates for non-neuronal monoamine transporters.

description: Small molecule binding data for protein Adrenaline alpha1, Adrenaline alpha2, and Solute carrier family 22 member 3, Uniprot O75751, Q63089, and Q9R0W2
DOI: 10.7270/q2kw5hkk
title: BindingDB Entry 50044115: Synthesis, cytotoxicity and molecular modelling studies of new phenylcinnamide derivatives as potent inhibitors of cholinesterases.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P06276
DOI: 10.7270/q2mw2jgt
title: BindingDB Entry 50042557: Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot P00492
DOI: 10.7270/q2p55pwc
title: BindingDB Entry 50043052: Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells.

description: Small molecule binding data for protein Androgen receptor, BDKRB2, Bradykinin B1 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, GABA B, Glucocorticoid receptor, Histamine H1 receptor, Histamine H2 Receptor, Neurokinin 1 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Platelet activating factor receptor, Serotonin 3 (5-HT3) receptor, and Sigma, Uniprot P04150, P14416, P15207, P25021, P25103, P25105, P25929, P30411, P35367, P46098, P46663, P49146, Q99720, and Q9UBS5
DOI: 10.7270/q2q81fhc
title: BindingDB Entry 50043609: TBA

description: Small molecule binding data for protein heat shock 70kDa protein 8 isoform 1, Uniprot P11142
DOI: 10.7270/q2qc04rf
title: BindingDB Entry 50042026: Agmatine is efficiently transported by non-neuronal monoamine transporters extraneuronal monoamine transporter (EMT) and organic cation transporter 2 (OCT2).

description: Small molecule binding data for protein Adrenaline alpha1 and Adrenergic Alpha, Uniprot O15245 and Q63089
DOI: 10.7270/q2qn6899
title: BindingDB Entry 50044114: Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT(7) and 5-HT(1A) receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and 5-hydroxytryptamine receptor 1A, Uniprot P08908 and P34969
DOI: 10.7270/q2rj4kt8
title: BindingDB Entry 50042556: Development of dual PLD1/2 and PLD2 selective inhibitors from a common 1,3,8-Triazaspiro[4.5]decane Core: discovery of Ml298 and Ml299 that decrease invasive migration in U87-MG glioblastoma cells.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dopamine receptor D2L/neurotensin receptor NTS1, Phospholipase D (PLD), Phospholipase D2 (PLD2), and Voltage-gated potassium channel, Uniprot O14939, P05177, P08684, P10635, P11712, P14416, Q12809, and Q13393
DOI: 10.7270/q2sx6fkb
title: BindingDB Entry 50043051: Phosphonic analogues of glutamic acid as irreversible inhibitors of Staphylococcus aureus endoproteinase GluC: an efficient synthesis and inhibition of the human IgG degradation.

description: Small molecule binding data for protein Glutamyl endopeptidase, Uniprot P0C1U8
DOI: 10.7270/q2w95bb9
title: BindingDB Entry 50040804: Identification of new potent GPR119 agonists by combining virtual screening and combinatorial chemistry.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Uniprot Q8TDV5
DOI: 10.7270/q2xp7692
title: BindingDB Entry 50043050: Synthesis of N(4)-(substituted phenyl)-N(4)-alkyl/desalkyl-9H-pyrimido[4,5-b]indole-2,4-diamines and identification of new microtubule disrupting compounds that are effective against multidrug resistant cells.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2028sq8
title: BindingDB Entry 50040811: CJ-1639: A Potent and Highly Selective Dopamine D3 Receptor Full Agonist.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P19020, and P35462
DOI: 10.7270/q2028swh
title: BindingDB Entry 50042562: Synthesis and preliminary evaluation in tumor bearing mice of new (18)F-labeled arylsulfone matrix metalloproteinase inhibitors as tracers for positron emission tomography.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), Serum albumin, and Stromelysin-1, Uniprot P02768, P03956, P08253, P08254, P14780, P39900, P45452, and P50281
DOI: 10.7270/q21g0nn4
title: BindingDB Entry 50043057: Discovery of a synthetic Aminopeptidase N inhibitor LB-4b as a potential anticancer agent.

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15144 and P15145
DOI: 10.7270/q22j6dbg
title: BindingDB Entry 50043614: TBA

description: Small molecule binding data for protein Endothelial lipase (EL), Uniprot Q9WVG5 and Q9Y5X9
DOI: 10.7270/q22n53j3
title: BindingDB Entry 50042031: Effect of 17 beta-estradiol-D-17 beta-glucuronide on the rat organic anion transporting polypeptide 2-mediated transport differs depending on substrates.

description: Small molecule binding data for protein Solute carrier organic anion transporter family member 1A4, Uniprot O35913
DOI: 10.7270/q2571dd9
title: BindingDB Entry 50043056: Design, synthesis and evaluation of flavonoid derivatives as potential multifunctional acetylcholinesterase inhibitors against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2697526
title: BindingDB Entry 50043613: TBA

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, and P11712
DOI: 10.7270/q26d5v8f
title: BindingDB Entry 50042030: Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters.

description: Small molecule binding data for protein Monocarboxylate transporter 10, Uniprot Q91Y77
DOI: 10.7270/q290256x
title: BindingDB Entry 50043055: Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.

description: Small molecule binding data for protein Methionine Aminopeptidase Type 1 (MetAP1) and Microtubule-associated protein 2, Uniprot P11137 and P53582
DOI: 10.7270/q29g5pbw
title: BindingDB Entry 50044125: Synthesis and kinase inhibitory activity of new sulfonamide derivatives of pyrazolo[4,3-e][1,2,4]triazines.

description: Small molecule binding data for protein CDK2/CycE, Casein Kinase II, and Tyrosine-protein kinase ABL1, Uniprot P00519, P24864, P24941, and P68400
DOI: 10.7270/q29w0gp4
title: BindingDB Entry 50041312: (4R,5S)/(4S,5R)-4,5-Bis(4-hydroxyphenyl)-2-imidazolines: ligands for the estrogen receptor with a novel binding mode.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2c82bfh
title: BindingDB Entry 50040808: Carbonic anhydrase inhibitors. Regioselective synthesis of novel series 1-substituted 1,4-dihydro-4-oxo-3-pyridinesulfonamides and their inhibition of the human cytosolic isozymes I and II and transmembrane cancer-associated isozymes 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/q2f76f32
title: BindingDB Entry 50044124: Synthesis, crystal structure and biological evaluation of some novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Intestinal alkaline phosphatase (IAP), Uniprot O42275, P06276, and P19111
DOI: 10.7270/q2fn17dv
title: BindingDB Entry 50041311: 4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2g44rng
title: BindingDB Entry 50042566: Design, synthesis, and biological evaluation of indenoisoquinoline rexinoids with chemopreventive potential.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q2h1334s
title: BindingDB Entry 50040807: Synthesis and evaluation ofa-thymidine analogues as novel antimalarials.

description: Small molecule binding data for protein Thymidylate kinase, putative
DOI: 10.7270/q2jm2bxs
title: BindingDB Entry 50042035: Characterization of the role of polar amino acid residues within predicted transmembrane helix 17 in determining the substrate specificity of multidrug resistance protein 3.

description: Small molecule binding data for protein Multidrug resistance associated protein
DOI: 10.7270/q2jm2c3f
title: BindingDB Entry 50043618: Exploring a potential palonosetron allosteric binding site in the 5-HT(3) receptor.

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot O95264 and P46098
DOI: 10.7270/q2kw5hdb
title: BindingDB Entry 50042565: Design and synthesis of new bifunctional sigma-1 selective ligands with antioxidant activity.

description: Small molecule binding data for protein Sigma and Sigma-1 receptor, Uniprot Q60492 and Q99720
DOI: 10.7270/q2ms3twv
title: BindingDB Entry 50040806: Coumarin-based inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicase: chemical optimization, biological evaluation, and antibacterial activities.

description: Small molecule binding data for protein Replicative DNA helicase
DOI: 10.7270/q2p84dc0
title: BindingDB Entry 50043617: The optimization of aminooxadiazoles as orally active inhibitors of Cdc7.

description: Small molecule binding data for protein Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase, CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase), CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O00311, O60563, P06493, P14635, P24864, P24941, P50750, and Q9UBU7
DOI: 10.7270/q2pc33nh
title: BindingDB Entry 50042034: ATP-dependent 17 beta-estradiol 17-(beta-D-glucuronide) transport by multidrug resistance protein (MRP). Inhibition by cholestatic steroids.

description: Small molecule binding data for protein Multidrug resistance-associated protein 1, Uniprot P33527
DOI: 10.7270/q2pn975x
title: BindingDB Entry 50044122: New aminobenzenesulfonamide-thiourea conjugates: synthesis and carbonic anhydrase inhibition and docking studies.

description: Small molecule binding data for protein Carbonic anhydrase, Uniprot P00921
DOI: 10.7270/q2q52qvh
title: BindingDB Entry 50041305: Discovery of novel N-phenylglycine derivatives as potent and selective beta(3)-adrenoceptor agonists for the treatment of frequent urination and urinary incontinence.

description: Small molecule binding data for protein Adrenergic receptor beta and Beta-2 adrenergic receptor, Uniprot P10608, P26255, and P54833
DOI: 10.7270/q2qn6842
title: BindingDB Entry 50042564: Optimizing small molecule inhibitors of calcium-dependent protein kinase 1 to prevent infection by Toxoplasma gondii.

description: Small molecule binding data for protein CAMK2A, Uniprot Q9UQM7
DOI: 10.7270/q2rj4kmk
title: BindingDB Entry 50040805: Discovery of 6,7-dihydro-5H-pyrrolo[2,3-a]pyrimidines as orally available G protein-coupled receptor 119 agonists.

description: Small molecule binding data for protein Cytochrome P450 2C9 and G-protein coupled receptor 119 (GPR119), Uniprot P11712 and Q8TDV5
DOI: 10.7270/q2t1553q
title: BindingDB Entry 50043616: Chemical synthesis and biological validation of immobilized protein kinase inhibitory Leucettines.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, Dual specificity protein kinase CLK4, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, and Dual-specificity tyrosine-regulated kinases 1B, Uniprot O35491, O35492, O35493, O43781, O60563, P20248, P22518, P24941, P50750, Q00535, Q13627, Q15078, Q92630, and Q9Y463
DOI: 10.7270/q2t43vbd
title: BindingDB Entry 50042033: Lopinavir: acute exposure inhibits P-glycoprotein; extended exposure induces P-glycoprotein.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2td9zvd
title: BindingDB Entry 50044121: Novel structural hybrids of pyrazolobenzothiazines with benzimidazoles as cholinesterase inhibitors.

description: Small molecule binding data for protein Butyrylcholinesterase (BuChE), Uniprot P81908
DOI: 10.7270/q2tx3gkx
title: BindingDB Entry 50041302: Correlation of anti-HIV activity with anion spacing in a series of cosalane analogues with extended polycarboxylate pharmacophores.

description: Small molecule binding data for protein T-cell surface antigen CD4, Uniprot P01730
DOI: 10.7270/q2vd70sg
title: BindingDB Entry 50042563: Development and evaluation of novel phosphotyrosine mimetic inhibitors targeting the Src homology 2 domain of signaling lymphocytic activation molecule (SLAM) associated protein.

description: Small molecule binding data for protein SH2 domain-containing protein 1A, Uniprot O60880
DOI: 10.7270/q2wq0557
title: BindingDB Entry 50043058: Investigation of the role of linker moieties in bifunctional tacrine hybrids.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2xs5wvs
title: BindingDB Entry 50043615: TBA

description: Small molecule binding data for protein Serine/threonine-protein kinase Sgk1, Uniprot O00141
DOI: 10.7270/q2xw4m2t
title: BindingDB Entry 50042032: Characterization of the efflux transport of 17beta-estradiol-D-17beta-glucuronide from the brain across the blood-brain barrier.

description: Small molecule binding data for protein Solute carrier family 22 member 6, Solute carrier family 22 member 8, Solute carrier organic anion transporter family member 1A1, and Solute carrier organic anion transporter family member 1A4, Uniprot O35913, O35956, P46720, and Q9R1U7
DOI: 10.7270/q2z60qkp
title: BindingDB Entry 50044120: Design, synthesis and bioevaluation of N-trisubstituted pyrimidine derivatives as potent aurora A kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Serine/threonine-protein kinase 12, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-A, and Serine/threonine-protein kinase Aurora-C, Uniprot O14965, O70126, P97477, Q96GD4, and Q9UQB9
DOI: 10.7270/q2zk5hwx
title: BindingDB Entry 50041298: Three-dimensional quantitative structure-activity relationship (3D-QSAR) models for a novel class of piperazine-based stromelysin-1 (MMP-3) inhibitors: applying a"divide and conquer" strategy.

description: Small molecule binding data for protein Stromelysin-1, Uniprot P08254
DOI: 10.7270/q21j9c7j
title: BindingDB Entry 50043622: 4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable Stearoyl-CoA desaturase-1 (SCD1) inhibitors. Part 1: urea-based analogs.

description: Small molecule binding data for protein Stearoyl-CoA desaturase 1 (SCD1), Uniprot P07308
DOI: 10.7270/q21n82c8
title: BindingDB Entry 50042039: Active transport of fluorescent P-glycoprotein substrates: evaluation as markers and interaction with inhibitors.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q21z45x8
title: BindingDB Entry 50044127: In vivo optimization of 2,3-diaminopyrazine Rho Kinase inhibitors for the treatment of glaucoma.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116 and Q13464
DOI: 10.7270/q22b9077
title: BindingDB Entry 50041316: C-7 analogues of progesterone as potent inhibitors of the P-glycoprotein efflux pump.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q22v2hg3
title: BindingDB Entry 50042569: Strategies to reduce HERG K+ channel blockade. Exploring heteroaromaticity and rigidity in novel pyridine analogues of dofetilide.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q23t9jcs
title: BindingDB Entry 50040810: Crucial Role of 3-Bromoethyl in Removing the Estrogenic Activity of 17ß-HSD1 Inhibitor 16ß-(m-Carbamoylbenzyl)estradiol.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1), Uniprot P14061
DOI: 10.7270/q25b03zd
title: BindingDB Entry 50043621: Design, synthesis and evaluation of novel 4-dimethylamine flavonoid derivatives as potential multi-functional anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q25d8t3m
title: BindingDB Entry 50042038: Interaction of common azole antifungals with P glycoprotein.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q25q4xm5
title: BindingDB Entry 50044126: Basic quinolinonyl diketo acid derivatives as inhibitors of HIV integrase and their activity against RNase H function of reverse transcriptase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2639qxq
title: BindingDB Entry 50041315: Synthesis of 3' '-substituted TSAO derivatives with anti-HIV-1 and anti-HIV-2 activity through an efficient palladium-catalyzed cross-coupling approach.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q26m385c
title: BindingDB Entry 50042568: Design, synthesis, and biological evaluation of a series of benzo[de][1,7]naphthyridin-7(8H)-ones bearing a functionalized longer chain appendage as novel PARP1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q27h1kr7
title: BindingDB Entry 50040809: Prodrugs of a CXC Chemokine-12 (CXCL12) Neutraligand Prevent Inflammatory Reactions in an Asthma Model in Vivo.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2930vn9
title: BindingDB Entry 50043620: Design of fluorinated 5-HT(4)R antagonists: influence of the basicity and lipophilicity toward the 5-HT(4)R binding affinities.

description: Small molecule binding data for protein HTR4 and Serotonin 3 (5-HT3) receptor, Uniprot O70528 and P46098
DOI: 10.7270/q2959jtx
title: BindingDB Entry 50042037: Pharmacological inhibition of P-glycoprotein transport enhances the distribution of HIV-1 protease inhibitors into brain and testes.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2bc40wp
title: BindingDB Entry 50042567: Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury.

description: Small molecule binding data for protein Arginase-1 and Arginase-2, mitochondrial, Uniprot P05089 and P78540
DOI: 10.7270/q2dv1mcq
title: BindingDB Entry 50043619: Inhibition of cholinesterase and monoamine oxidase-B activity by Tacrine-Homoisoflavonoid hybrids.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908