cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2qr4z2q
title: BindingDB Entry 50038979: C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, MAP kinase-activated protein kinase 2, PKC alpha and beta-2, Protein kinase C (PKC), Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, epsilon, Protein kinase C, eta, Rho-associated protein kinase, SRC, and Voltage-gated potassium channel, Uniprot P05177, P05771, P06239, P07948, P08684, P10635, P11712, P24723, P33261, P49137, Q02111, Q02156, Q04759, Q05513, Q05655, Q12809, and Q13464
DOI: 10.7270/q2qv3n7w
title: BindingDB Entry 50037126: Vinyl sulfide cyclized analogues of angiotensin II with high affinity and full agonist activity at the AT(1) receptor.

description: Small molecule binding data for protein Angiotensin II AT1B, Uniprot P29089
DOI: 10.7270/q2th8np3
title: BindingDB Entry 50038986: Potent small molecule mouse CD22-inhibitors: exploring the interaction of the residue at C-2 of sialic acid scaffold.

description: Small molecule binding data for protein B-cell receptor CD22, Uniprot P35329
DOI: 10.7270/q2th8nr0
title: BindingDB Entry 50039808: Synthesis and biological evaluation of cyclic sulfamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q2v125n2
title: BindingDB Entry 50038067: Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q2vh5prk
title: BindingDB Entry 50038978: Eleven amino acid glucagon-like peptide-1 receptor agonists with antidiabetic activity.

description: Small molecule binding data for protein Gastric inhibitory polypeptide receptor, Glucagon receptor, Glucagon-like peptide 1 receptor, Glucagon-like peptide 1 receptor (GLP-1), and Parathyroid hormone receptor, Uniprot O35659, P43220, P47871, P48546, and Q03431
DOI: 10.7270/q2vm4d02
title: BindingDB Entry 50037125: Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB(1) cannabinoid receptor ligands and potential antagonists: synthesis, lipophilicity, affinity, and molecular modeling.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P21554
DOI: 10.7270/q2z89dcc
title: BindingDB Entry 50038985: Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine receptor D2L/neurotensin receptor NTS1, Serotonin and norepinephrine transporters (SERT/NET), and Serotonin receptor (2b and 2c), Uniprot P14416, P28223, P31645, and P41595
DOI: 10.7270/q2z89dgq
title: BindingDB Entry 50039807: Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and G protein-coupled receptor 44, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, and Q9Y5Y4
DOI: 10.7270/q2zs2xbn
title: BindingDB Entry 50038066: Endomorphin-2 with a beta-turn backbone constraint retains the potent micro-opioid receptor agonist properties.

description: Small molecule binding data for protein Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P42866
DOI: 10.7270/q21j9bm2
title: BindingDB Entry 50038081: The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin (H and K), Cathepsin F, Cathepsin K, Cathepsin L1, Cathepsin S, Cathepsin V, Cathepsin Z, and Dipeptidyl peptidase I, Uniprot O60911, P07711, P07858, P09668, P25774, P43235, P43236, P53634, Q9UBR2, and Q9UBX1
DOI: 10.7270/q2222vqf
title: BindingDB Entry 50038992: Protein tyrosine phosphatase 1B inhibitors isolated from Morus bombycis.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2222vts
title: BindingDB Entry 50039814: Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2251jwm
title: BindingDB Entry 50037139: Biaryl analogues of conformationally constrained tricyclic tropanes as potent and selective norepinephrine reuptake inhibitors: synthesis and evaluation of their uptake inhibition at monoamine transporter sites.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2348m3r
title: BindingDB Entry 50037131: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q25b039w
title: BindingDB Entry 50038080: Multi-target-directed ligands to combat neurodegenerative diseases.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Acetylcholinesterase, Adenosine receptor A2a, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Beta-secretase 1, Cholinesterase, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Serotonin 3 (5-HT3) receptor, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P06276, P08908, P14416, P21397, P21917, P22303, P27338, P29274, P31645, P35462, P46098, and P56817
DOI: 10.7270/q25q4x20
title: BindingDB Entry 50038991: Discovery and optimization of CRTH2 and DP dual antagonists.

description: Small molecule binding data for protein Chemoattractant receptor-homologous molecule expressed on Th2 cells, G protein-coupled receptor 44, Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid DP receptor, and Prostanoid TP receptor, Uniprot P21731, P35408, P43116, Q13258, and Q9Y5Y4
DOI: 10.7270/q25t3mj6
title: BindingDB Entry 50039813: Discovery of a Novel Series of CHK1 Kinase Inhibitors with a Distinctive Hinge Binding Mode.

description: Small molecule binding data for protein CDK2/CycE and Serine/threonine-protein kinase Chk1, Uniprot O14757, P24864, and P24941
DOI: 10.7270/q2930v0s
title: BindingDB Entry 50038079: Protected aminooxyprolines for expedited library synthesis: application to Tsg101-directed proline-oxime containing peptides.

description: Small molecule binding data for protein Tumor susceptibility gene 101 protein, Uniprot Q99816
DOI: 10.7270/q29g5nrv
title: BindingDB Entry 50038990: Hydroxamic acids as a novel family of serine racemase inhibitors: mechanistic analysis reveals different modes of interaction with the pyridoxal-5'-phosphate cofactor.

description: Small molecule binding data for protein Serine racemase, Uniprot Q9QZX7
DOI: 10.7270/q29k4c8x
title: BindingDB Entry 50039812: Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, HM74 nicotinic acid GPCR, and Hydroxycarboxylic acid receptor 2, Uniprot P05177, P08684, P10635, P11712, P49019, Q80Z39, Q8TDS4, and Q9EP66
DOI: 10.7270/q2d79cb6
title: BindingDB Entry 50038997: Synthesis and biological evaluation of salicylic acid and N-acetyl-2-carboxybenzenesulfonamide regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity.

description: Small molecule binding data for protein 5-Lipoxygenase and Cyclooxygenase, Uniprot O62664 and P35354
DOI: 10.7270/q2dv1kqs
title: BindingDB Entry 50038078: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00740, P00742, P00747, P00750, P03951, P03952, and P04070
DOI: 10.7270/q2f76dh1
title: BindingDB Entry 50038989: Novel L-xylose derivatives as selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1), Sodium/glucose cotransporter 2 (SGLT2), and sodium-dependent glucose cotransporter 2 (SGLT2), Uniprot P13866, P31639, and Q923I7
DOI: 10.7270/q2ff3t3j
title: BindingDB Entry 50037136: 2002 Medicinal Chemistry Division Award address: monoamine transporters and opioid receptors. Targets for addiction therapy.

description: Small molecule binding data for protein Delta-type opioid receptor, Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, and mu/kappa opioid receptor, Uniprot P23975, P23977, P31645, P31652, P41143, P41144, P97266, and Q01959
DOI: 10.7270/q2j1043x
title: BindingDB Entry 50038996: COX, LOX and platelet aggregation inhibitory properties of Lauraceae neolignans.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2jm2bgz
title: BindingDB Entry 50038077: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors.

description: Small molecule binding data for protein ADAM17, Uniprot O77636
DOI: 10.7270/q2k0757r
title: BindingDB Entry 50038988: Allosteric functional switch of neurokinin A-mediated signaling at the neurokinin NK2 receptor: structural exploration.

description: Small molecule binding data for protein TACR2, Uniprot P16610
DOI: 10.7270/q2k0759n
title: BindingDB Entry 50039810: Discovery of a Potent Dihydrooxadiazole Series of Non-ATP-Competitive MK2 (MAPKAPK2) Inhibitors.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 2, Uniprot P49137
DOI: 10.7270/q2k64jsd
title: BindingDB Entry 50037135: Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.

description: Small molecule binding data for protein Cytochrome P450 2D1, Cytochrome P450 2D18, Cytochrome P450 2D2, Cytochrome P450 2D3, and Cytochrome P450 2D6 (2D6), Uniprot P10633, P10634, P10635, and P12938
DOI: 10.7270/q2ns0vxw
title: BindingDB Entry 50039817: Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Regulator of G-protein signaling 4 (RGS4), and Regulator of G-protein signaling 8, Uniprot P49798, P49841, and P57771
DOI: 10.7270/q2pc3374
title: BindingDB Entry 50038076: 4-Aminopyridine derivatives with anticholinesterase and antiamnesic activity.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2pr7wzc
title: BindingDB Entry 50038987: Discovery of the imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepine scaffold as a novel, potent and selective GABA(A) alpha5 inverse agonist series.

description: Small molecule binding data for protein GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P18507, P28472, and P31644
DOI: 10.7270/q2pr7x1p
title: BindingDB Entry 50039809: (18)F-labeled phenyldiazenyl benzothiazole for in vivo imaging of neurofibrillary tangles in Alzheimer's disease brains.

description: Small molecule binding data for protein Tau, Uniprot P10636
DOI: 10.7270/q2pv6m3h
title: BindingDB Entry 50037134: Synthesis and structure-activity relationships of 6,7-disubstituted 4-anilinoquinoline-3-carbonitriles. The design of an orally active, irreversible inhibitor of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR) and the human epidermal growth factor receptor-2 (HER-2).

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2s46stp
title: BindingDB Entry 50038083: Imidazopyridines: a novel class of hNav1.7 channel blockers.

description: Small molecule binding data for protein Cytochrome P450 3A, Sodium channel alpha subunit, and Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot P08684, Q15858, and Q9Y5Y9
DOI: 10.7270/q2sj1mkq
title: BindingDB Entry 50038994: 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot O60674, P36888, and P52333
DOI: 10.7270/q2sj1mnm
title: BindingDB Entry 50039816: Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cytoplasmic tyrosine-protein kinase BMX, Ephrin type-A receptor 3, Ephrin type-B receptor 2, Fibroblast growth factor receptor, Insulin receptor, Insulin-like growth factor 1 receptor, JNK1/JNK2, Macrophage colony-stimulating factor 1 receptor (c-Fms), Macrophage-stimulating protein receptor, Mast/stem cell growth factor receptor Kit, NT-3 growth factor receptor, Neuronal proto-oncogene tyrosine-protein kinase Src, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, Platelet-derived growth factor receptor, Proto-oncogene tyrosine-protein kinase ROS, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3, TPR/MET fusion protein, Tyrosine-protein kinase Fgr, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase Lyn, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor Tie-1, and Vascular endothelial growth factor receptor 1, Uniprot P04629, P05480, P05532, P05622, P09581, P10721, P14234, P15208, P16056, P25911, P29319, P35546, P35969, P43404, P54763, P97504, P97793, Q00342, Q03142, Q06806, Q16288, Q16620, Q60751, Q61851, Q62190, Q78DX7, and Q9WTU6
DOI: 10.7270/q2t43txm
title: BindingDB Entry 50038075: 5'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivity for A1 receptor from different species.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P28190, P29274, P29275, P30542, and P47745
DOI: 10.7270/q2tm7btt
title: BindingDB Entry 50037133: The power of visual imagery in drug design. Isopavines as a new class of morphinomimetics and their human opioid receptor binding activity.

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/q2x92c80
title: BindingDB Entry 50038993: Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 4, Uniprot P00915, P00918, and P22748
DOI: 10.7270/q2xs5w7q
title: BindingDB Entry 50038074: Prospects for metabotropic glutamate 1 receptor antagonists in the treatment of neuropathic pain.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1 and Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q13255 and Q14416
DOI: 10.7270/q2zc83k0
title: BindingDB Entry 50037132: New N-n-propyl-substituted 3-aryl- and 3-cyclohexylpiperidines as partial agonists at the D4 dopamine receptor.

description: Small molecule binding data for protein DRD1 and DRD2, Uniprot P20288 and Q95136
DOI: 10.7270/q20p10v3
title: BindingDB Entry 50038089: Carboxylic acid bioisosteres acylsulfonamides, acylsulfamides, and sulfonylureas as novel antagonists of the CXCR2 receptor.

description: Small molecule binding data for protein C-X-C chemokine receptor type 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Interleukin-8 receptors, CXCR2, Uniprot P05177, P08684, P10635, P11712, P25025, P33261, and P35344
DOI: 10.7270/q2125tmh
title: BindingDB Entry 50039000: Structural studies of pterin-based inhibitors of dihydropteroate synthase.

description: Small molecule binding data for protein Dihydropteroate synthase
DOI: 10.7270/q2125tpd
title: BindingDB Entry 50039822: Exploring the binding sites of glycogen synthase kinase 3. Identification and characterization of allosteric modulation cavities.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q24b325h
title: BindingDB Entry 50038088: Design and synthesis of tetrazole-based growth hormone secretagogue: the SAR studies of the O-benzyl serine side chain.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q24t6k9g
title: BindingDB Entry 50038999: Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanes.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Sodium-dependent serotonin transporter, and Transporter, Uniprot P23977 and P31652
DOI: 10.7270/q24t6kdt
title: BindingDB Entry 50039821: Synthesis and pharmacological assessment of diversely substituted pyrazolo[3,4-b]quinoline, and benzo[b]pyrazolo[4,3-g][1,8]naphthyridine derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q25x29ng
title: BindingDB Entry 50037138: Antiviral amphipathic oligo- and polyribonucleotides: analogue development and biological studies.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q27m08wz
title: BindingDB Entry 50039006: The binding of synthetic retinoids to lipocalin beta-lactoglobulins.

description: Small molecule binding data for protein Beta-lactoglobulin, Uniprot P02754
DOI: 10.7270/q2833sv0
title: BindingDB Entry 50038087: Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q28g8mnx
title: BindingDB Entry 50038998: Terpenoids. III: Synthesis and biological evaluation of 23-hydroxybetulinic acid derivatives as novel inhibitors of glycogen phosphorylase.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q28k7b4j
title: BindingDB Entry 50039820: The relevance of higher plants in lead compound discovery programs.

description: Small molecule binding data for protein Taste receptor type 2 member 31, Uniprot P59538
DOI: 10.7270/q28p617t
title: BindingDB Entry 50037145: Carbonic anhydrase inhibitors. Inhibition of cytosolic isozymes I and II and transmembrane, tumor-associated isozyme IX with sulfamates including EMATE also acting as steroid sulfatase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q29p32c6
title: BindingDB Entry 50037137: Benzodiazepines as potent and selective bradykinin B1 antagonists.

description: Small molecule binding data for protein BDKRB1 and Bradykinin B1 receptor, Uniprot P46663 and P97583
DOI: 10.7270/q2c82b7t
title: BindingDB Entry 50039005: Chloro-substituted 3-alkylamino-4H-1,2,4-benzothiadiazine 1,1-dioxides as ATP-sensitive potassium channel activators: impact of the position of the chlorine atom on the aromatic ring on activity and tissue selectivity.

description: Small molecule binding data for protein Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1, Uniprot Q09428 and Q14654
DOI: 10.7270/q2cv4jkd
title: BindingDB Entry 50038086: Substituted 2,2-bisaryl-bicycloheptanes as novel and potent inhibitors of 5-lipoxygenase activating protein.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917 and P20292
DOI: 10.7270/q2db82w9
title: BindingDB Entry 50039819: Discovery of Natural Phenols as G Protein-Coupled Receptor-35 (GPR35) Agonists.

description: Small molecule binding data for protein G-protein coupled receptor 35, Uniprot Q9HC97
DOI: 10.7270/q2h132xp
title: BindingDB Entry 50039004: Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases.

description: Small molecule binding data for protein Pteridine reductase 1, Uniprot Q01782
DOI: 10.7270/q2hm5994
title: BindingDB Entry 50038085: Peptide backbone modifications on the C-terminal hexapeptide of neurotensin.

description: Small molecule binding data for protein Neurotensin receptor 1, Uniprot O88319
DOI: 10.7270/q2j10468
title: BindingDB Entry 50039818: Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Epoxide hydratase, Uniprot P09917 and P34913
DOI: 10.7270/q2mc90vm
title: BindingDB Entry 50038092: Design and synthesis of a siderophore conjugate as a potent PSMA inhibitor and potential diagnostic agent for prostate cancer.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2ms3tp5
title: BindingDB Entry 50039003: Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 15, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q99N23, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2nc6229
title: BindingDB Entry 50038084: Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo.

description: Small molecule binding data for protein C-C chemokine receptor type 5, 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, P51681, P61814, and Q12809
DOI: 10.7270/q2ns0vv0
title: BindingDB Entry 50038995: Identification of novel agonists of the integrin CD11b/CD18.

description: Small molecule binding data for protein Integrin alpha M/beta-2, Uniprot P05107 and P11215