cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2z037md
title: BindingDB Entry 50014898: Antimitotic activity of glaupalol-related coumarins from Glaucidium palmatum.

description: Small molecule binding data for protein Tubulin, Uniprot P02550
DOI: 10.7270/q2zg6rst
title: BindingDB Entry 50016615: 2-Alkyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as novel 5-HT6 receptor agonists.

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 7 (5-HT7), 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, HTR4, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, and Serotonin 3 (5-HT3) receptor, Uniprot O70528, P19327, P28221, P28222, P28223, P28335, P28564, P34969, P46098, and P50406
DOI: 10.7270/q20g3jvd
title: BindingDB Entry 50021061: In vitro affinities of various halogenated benzamide derivatives as potential radioligands for non-invasive quantification of D(2)-like dopamine receptors.

description: Small molecule binding data for protein Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, and P50130
DOI: 10.7270/q20r9nvp
title: BindingDB Entry 50014940: Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes.

description: Small molecule binding data for protein Cytochrome P450-cam, Uniprot P00183
DOI: 10.7270/q228074p
title: BindingDB Entry 50016625: Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.

description: Small molecule binding data for protein Beta-secretase (BACE) and Beta-secretase 1, Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q22z155k
title: BindingDB Entry 50018334: Solid-phase combinatorial approach for the optimization of soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q24749k4
title: BindingDB Entry 50021059: Dual serotonin transporter inhibitor/histamine H3 antagonists: development of rigidified H3 pharmacophores.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent serotonin transporter, Uniprot P31645 and P31652
DOI: 10.7270/q24j0dkz
title: BindingDB Entry 50014938: Synthesis, biological activity, and three-dimensional quantitative structure-activity relationship model for a series of benzo[c]quinolizin-3-ones, nonsteroidal inhibitors of human steroid 5alpha-reductase 1.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1) and Steroid 5-alpha-reductase, Uniprot P18405 and P31213
DOI: 10.7270/q2610zvm
title: BindingDB Entry 50016624: Design and synthesis of tricyclic imidazo[4,5-b]pyridin-2-ones as corticotropin-releasing factor-1 antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q26q1wwh
title: BindingDB Entry 50018332: Synthesis of 3,6-bis[H-Tyr/H-Dmt-NH(CH2)m,n]-2(1H)pyrazinone derivatives: function of alkyl chain length on opioid activity.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, and P97266
DOI: 10.7270/q28052b9
title: BindingDB Entry 50021055: Novel (E)-2-(aryl)-3-(4-methanesulfonylphenyl)acrylic ester prodrugs possessing a diazen-1-ium-1,2-diolate moiety: design, synthesis, cyclooxygenase inhibition, and nitric oxide release studies.

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/q28915b4
title: BindingDB Entry 50014934: Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY + 3 binding site.

description: Small molecule binding data for protein SRC, Uniprot P06239
DOI: 10.7270/q29g5mfd
title: BindingDB Entry 50018351: Discovery of aminoquinazolines as potent, orally bioavailable inhibitors of Lck: synthesis, SAR, and in vivo anti-inflammatory activity.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, Cyclin-Dependent Kinase 5 (CDK5), JAK2/TYK2, JAK3/JAK1, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, Ribosomal protein S6 kinase alpha 5, SRC, Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, c-Jun N-terminal kinase, JNK, cAMP-dependent protein kinase (PKA), and p21-Activated kinase 2 (PAK2), Uniprot O14965, O75582, P06239, P12931, P22694, P29597, P31749, P35968, P43403, P43405, P45983, P45984, P52333, P53779, Q00535, Q06187, Q08881, Q13177, Q16539, and Q96GD4
DOI: 10.7270/q29s1qjk
title: BindingDB Entry 50016623: A positron emission tomography radioligand for the in vivo labeling of metabotropic glutamate 1 receptor: (3-ethyl-2-[11C]methyl-6-quinolinyl)(cis- 4-methoxycyclohexyl)methanone.

description: Small molecule binding data for protein Metabotropic glutamate receptor and metabotropic glutamate 1/2, Uniprot P23385 and P31424
DOI: 10.7270/q2bg2nnp
title: BindingDB Entry 50018329: Interaction of N1-unsubstituted and N1-benzenesulfonyltryptamines at h5-HT6 receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2br8rw3
title: BindingDB Entry 50021076: Synthesis and characterization of a pegylated derivative of 3-(1,2,3,6-tetrahydro-pyridin-4yl)-1H-indole (IDT199): a high affinity SERT ligand for conjugation to quantum dots.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Uniprot P31645
DOI: 10.7270/q2cr5t3s
title: BindingDB Entry 50021051: Preparation of 4-aryl-2-trifluoromethylbenzonitrile derivatives as androgen receptor antagonists for topical suppression of sebum production.

description: Small molecule binding data for protein Androgen Receptor and Progesterone receptor, Uniprot P06401 and P10275
DOI: 10.7270/q2d21x3x
title: BindingDB Entry 50014933: Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization.

description: Small molecule binding data for protein Plasminogen activator inhibitor-1, Uniprot P05121 and P20961
DOI: 10.7270/q2ff3rxg
title: BindingDB Entry 50016622: Synthesis and structure-activity relationship of novel 6-aryl-1,4-dihydrobenzo[d][1,3]oxazine-2-thiones as progesterone receptor modulators leading to the potent and selective nonsteroidal progesterone receptor agonist tanaproget.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2hh6jt3
title: BindingDB Entry 50021050: Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2ht2ntx
title: BindingDB Entry 50014931: 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1) and Gonadotropin-releasing hormone receptor, Uniprot P30968 and P30969
DOI: 10.7270/q2j67ggc
title: BindingDB Entry 50016639: Development of dual-acting benzofurans for thromboxane A2 receptor antagonist and prostacyclin receptor agonist: synthesis, structure-activity relationship, and evaluation of benzofuran derivatives.

description: Small molecule binding data for protein Prostanoid IP receptor and Prostanoid TP receptor, Uniprot P21731 and P43119
DOI: 10.7270/q2k073wf
title: BindingDB Entry 50018348: Design and synthesis of dual peroxisome proliferator-activated receptors gamma and delta agonists as novel euglycemic agents with a reduced weight gain profile.

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/q2k64hmr
title: BindingDB Entry 50016619: Analogs of a potent maxi-K potassium channel opener with an improved inhibitory profile toward cytochrome P450 isozymes.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2n879hc
title: BindingDB Entry 50021048: Structure-activity relationship of a series of inhibitors of monoacylglycerol hydrolysis--comparison with effects upon fatty acid amide hydrolase.

description: Small molecule binding data for protein Anandamide amidohydrolase and Monoglyceride lipase (MGL), Uniprot P97612 and Q8R431
DOI: 10.7270/q2nz875b
title: BindingDB Entry 50016636: A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2pn959w
title: BindingDB Entry 50018347: Fumarranol, a rearranged fumagillin analogue that inhibits angiogenesis in vivo.

description: Small molecule binding data for protein Methionine aminopeptidase 2, Uniprot P50579
DOI: 10.7270/q2qn66cc
title: BindingDB Entry 50018322: Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2r21138
title: BindingDB Entry 50021069: Discovery of (-)-6-[2-[4-(3-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-hydroxyethyl]-3,4-dihydro-2(1H)-quinolinone--a potent NR2B-selective N-methyl D-aspartate (NMDA) antagonist for the treatment of pain.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), and Voltage-gated potassium channel, Uniprot P10635, Q00960, and Q12809
DOI: 10.7270/q2s75fsr
title: BindingDB Entry 50014923: Synthesis and structure-activity relationship of novel benzoxazole derivatives as melatonin receptor agonists.

description: Small molecule binding data for protein Melatonin receptor and Melatonin receptor 1B, Uniprot B7X946, P48039, and P49286
DOI: 10.7270/q2sq8zw8
title: BindingDB Entry 50016634: 2-Acetylamino-3-[4-(2-acetylamino-2-carboxyethylsulfanylcarbonylamino)- phenylcarbamoylsulfanyl]propionic acid and its derivatives as a novel class of glutathione reductase inhibitors.

description: Small molecule binding data for protein Glutathione reductase, Uniprot P41921
DOI: 10.7270/q2td9x0s
title: BindingDB Entry 50018337: N',2-diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists II.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, P21452, P25103, P29371, and Q12809
DOI: 10.7270/q2vq32dz
title: BindingDB Entry 50021062: Marine natural products from the Turkish sponge Agelas oroides that inhibit the enoyl reductases from Plasmodium falciparum, Mycobacterium tuberculosis and Escherichia coli.

description: Small molecule binding data for protein Enoyl-acyl-carrier protein reductase
DOI: 10.7270/q2w095dj
title: BindingDB Entry 50014942: Development of potent bifunctional endomorphin-2 analogues with mixed mu-/delta-opioid agonist and delta-opioid antagonist properties.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2xg9qnf
title: BindingDB Entry 50016633: Discovery and structure-activity relationship of 3-aryl-5-aryl-1,2,4-oxadiazoles as a new series of apoptosis inducers and potential anticancer agents.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2z60np6
title: BindingDB Entry 50018335: Potent antagonists of the Kv1.5 potassium channel: synthesis and evaluation of analogous N,N-diisopropyl-2-(pyridine-3-yl)acetamides.

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q218361r
title: BindingDB Entry 50016645: Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q21z4416
title: BindingDB Entry 50018354: Structural insights into the ATP binding pocket of the anaplastic lymphoma kinase by site-directed mutagenesis, inhibitor binding analysis, and homology modeling.

description: Small molecule binding data for protein ALK tyrosine kinase receptor/Nucleophosmin and Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519, P06748, P11274, and Q9UM73
DOI: 10.7270/q23778fr
title: BindingDB Entry 50021079: Discovery of novel and orally active NR2B-selective N-methyl-D-aspartate (NMDA) antagonists, pyridinol derivatives with reduced HERG binding affinity.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B) and Voltage-gated potassium channel, Uniprot Q00960 and Q12809
DOI: 10.7270/q23j3cd4
title: BindingDB Entry 50014956: Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2513xrp
title: BindingDB Entry 50016644: Design and synthesis of 4-(alpha-hydroxymalonyl)phenylalanine as a new phosphotyrosyl mimetic and its use in growth factor receptor bound 2 src-homology 2 (Grb2 SH2) domain-binding peptides.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q25q4vqp
title: BindingDB Entry 50018352: Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Glycogen phosphorylase, muscle form, and Liver glycogen phosphorylase, Uniprot P00489, P06737, and P09811
DOI: 10.7270/q2708141
title: BindingDB Entry 50021078: Melanocortin subtype 4 receptor agonists: structure-activity relationships about the 4-alkyl piperidine core.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P33032, and P41968
DOI: 10.7270/q279444v
title: BindingDB Entry 50014955: Estrogen receptor ligands. Part 8: Dihydrobenzoxathiin SERAMs with heteroatom-substituted side chains.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q27s7nbq
title: BindingDB Entry 50016655: 8-Substituted 3,4-dihydroquinolinones as a novel scaffold for atypical antipsychotic activity.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A) and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P28223
DOI: 10.7270/q28s4pg3
title: BindingDB Entry 50016643: High-affinity epidermal growth factor receptor (EGFR) irreversible inhibitors with diminished chemical reactivities as positron emission tomography (PET)-imaging agent candidates of EGFR overexpressing tumors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), and PDGFR-beta/Platelet-derived growth factor receptor alpha, Uniprot P00533, P04626, P09619, and P16234
DOI: 10.7270/q2c24vw7
title: BindingDB Entry 50014954: Estrogen receptor ligands. Part 7: Dihydrobenzoxathiin SERAMs with bicyclic amine side chains.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2d79b26
title: BindingDB Entry 50018364: Identification and optimisation of 5-amino-7-aryldihydro-1,4-diazepines as 5-HT2A ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Serotonin (5-HT) receptor, Uniprot P14842, P28223, and P28335
DOI: 10.7270/q2dj5f5c
title: BindingDB Entry 50016641: Novel fluorinated prodrugs for activation by carboxypeptidase G2 showing good in vivo antitumor activity in gene-directed enzyme prodrug therapy.

description: Small molecule binding data for protein Carboxypeptidase G2
DOI: 10.7270/q2f76c6k
title: BindingDB Entry 50018349: Identification of a novel 4-aminomethylpiperidine class of M3 muscarinic receptor antagonists and structural insight into their M3 selectivity.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2gh9hpq
title: BindingDB Entry 50021074: Synthesis and biological evaluation of amino-pyridines as androgen receptor antagonists for stimulating hair growth and reducing sebum production.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2gt5mn3
title: BindingDB Entry 50014950: Design, synthesis, and biological evaluation of 2,4-diamino-5-methyl-6-substituted-pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Dihydrofolate reductase (DHFR), Uniprot P16184, Q07422, and Q920D2
DOI: 10.7270/q2h994r9
title: BindingDB Entry 50016653: Novel, selective indole-based ECE inhibitors: lead optimization via solid-phase and classical synthesis.

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE1), Uniprot P42892
DOI: 10.7270/q2j102th
title: BindingDB Entry 50018363: Identification of non-furan containing A2A antagonists using database mining and molecular similarity approaches.

description: Small molecule binding data for protein Adenosine receptor A1 and Adenosine receptor A2a, Uniprot P29274 and P30542
DOI: 10.7270/q2k93775
title: BindingDB Entry 50021094: Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1 and Voltage-gated potassium channel, Uniprot O14757 and Q12809
DOI: 10.7270/q2m908d0
title: BindingDB Entry 50021070: Structure-activity relationship study of novel NR2B-selective antagonists with arylamides to avoid reactive metabolites formation.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B) and Voltage-gated potassium channel, Uniprot Q00960 and Q12809
DOI: 10.7270/q2mk6cct
title: BindingDB Entry 50014949: Mechanism of inactivation of beta-lactamases by novel 6-methylidene penems elucidated using electrospray ionization mass spectrometry.

description: Small molecule binding data for protein Beta-lactamase (TEM-1), Beta-lactamase AmpC, Beta-lactamase type II, and IMI-1, Uniprot P00811, P25910, and P62593
DOI: 10.7270/q2n29wgn
title: BindingDB Entry 50016652: Identification of ortho-amino benzamides and nicotinamides as MCHr1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2ns0th3
title: BindingDB Entry 50018358: 1-Aminomethylbenzocycloalkanes: conformationally restricted hallucinogenic phenethylamine analogues as functionally selective 5-HT2A receptor agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A) and Serotonin (5-HT) receptor, Uniprot P14842 and P28223
DOI: 10.7270/q2q23zz3
title: BindingDB Entry 50021093: Rational design of conformationally restricted quinazolinone inhibitors of poly(ADP-ribose)polymerase.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2qc02z9
title: BindingDB Entry 50014965: Definition of the heterocyclic pharmacophore of bacterial methionyl tRNA synthetase inhibitors: potent antibacterially active non-quinolone analogues.

description: Small molecule binding data for protein Methionyl-tRNA synthetase, Uniprot Q8NY00
DOI: 10.7270/q2rb7423
title: BindingDB Entry 50014946: Synthesis and biological evaluation of 3-heterocyclyl-7,8,9,10-tetrahydro-(7,10-ethano)-1,2,4-triazolo[3,4-a]phthalazines and analogues as subtype-selective inverse agonists for the GABA(A)alpha5 benzodiazepine binding site.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, GABA receptor alpha-4/beta-3/gamma-2 subunit, GABA receptor alpha-5/beta-3/gamma-2 subunit, and GABA receptor alpha-6/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, P47869, P48169, and Q16445
DOI: 10.7270/q2rr1xsw
title: BindingDB Entry 50016650: Boro-norleucine as a P1 residue for the design of selective and potent DPP7 inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Fibroblast activation protein alpha, Uniprot P27487, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2sf2vt3
title: BindingDB Entry 50018357: Diphenyl phosphonate inhibitors for the urokinase-type plasminogen activator: optimization of the P4 position.

description: Small molecule binding data for protein Coagulation factor X, Plasminogen, Prothrombin, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00734, P00743, P00747, P00749, and P00750
DOI: 10.7270/q2tt4qn2
title: BindingDB Entry 50021092: Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a.

description: Small molecule binding data for protein HM74 nicotinic acid GPCR and Hydroxycarboxylic acid receptor 2, Uniprot P49019 and Q8TDS4
DOI: 10.7270/q2v40tn6
title: BindingDB Entry 50014964: Cinnamic acid esters as potent inhibitors of fungal 17beta-hydroxysteroid dehydrogenase--a model enzyme of the short-chain dehydrogenase/reductase superfamily.

description: Small molecule binding data for protein 17-beta-hydroxysteroid-dehydrogenase
DOI: 10.7270/q2wh2phm
title: BindingDB Entry 50016648: Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P14780, P45452, and P78536
DOI: 10.7270/q2x63mk8
title: BindingDB Entry 50018356: HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease