cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2z32077
title: BindingDB Entry 50035673: 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethyluracil. A highly selective antiherpes simplex agent.

description: Small molecule binding data for protein Thymidine kinase, cytosolic, Uniprot P04183
DOI: 10.7270/q2zs2x1m
title: BindingDB Entry 50034835: Highly potent and selective inhibitors of endothelin converting enzyme

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE1) and Neutral Endopeptidase (NEP), Uniprot P07861 and P42892
DOI: 10.7270/q2028sfp
title: BindingDB Entry 50038392: SCO-1, a novel plasmid-mediated class A beta-lactamase with carbenicillinase characteristics from Escherichia coli.

description: Small molecule binding data for protein Beta-lactamase (TEM-1) and Beta-lactamase SCO-1, Uniprot P62593
DOI: 10.7270/q20k29bf
title: BindingDB Entry 50037503: Fancy bioisosteres: metallocene-derived G-protein-coupled receptor ligands with subnanomolar binding affinity and novel selectivity profiles.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D1 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08908, P14416, P21917, P35462, and P50130
DOI: 10.7270/q20z73vc
title: BindingDB Entry 50035694: Synthesis and activity profiles of new dermorphin-(1-4) peptide analogues.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q21r6r54
title: BindingDB Entry 50036591: 3'-Chloro-3 alpha-(diphenylmethoxy)tropane but not 4'-chloro-3 alpha-(diphenylmethoxy)tropane produces a cocaine-like behavioral profile.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Muscarinic acetylcholine receptor M1, Uniprot P08482 and P23977
DOI: 10.7270/q21z44th
title: BindingDB Entry 50033955: Novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2): crystal structures, biochemical activity, and intracellular effects of imidazoacridin-6-ones.

description: Small molecule binding data for protein Ribosyldihydronicotinamide dehydrogenase [quinone], Uniprot P16083
DOI: 10.7270/q22j6cch
title: BindingDB Entry 50034845: A study of 3-amino-N-hydroxypropanesulfonamide derivatives as potential GABAB agonists and their fragmentation to 3-aminopropanesulfinic acid

description: Small molecule binding data for protein GABA-B receptor 1/2, Uniprot O88871 and Q9Z0U4
DOI: 10.7270/q22z15xf
title: BindingDB Entry 50033947: Identification of 5,6-substituted 4-aminothieno[2,3-d]pyrimidines as LIMK1 inhibitors.

description: Small molecule binding data for protein LIM domain kinase 1, Uniprot P53667
DOI: 10.7270/q23t9j36
title: BindingDB Entry 50038391: Synthesis and biological activity of quinolinone and dihydroquinolinone p38 MAP kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2474bnf
title: BindingDB Entry 50037501: Dopamine D3 receptor partial agonists and antagonists as potential drug abuse therapeutic agents.

description: Small molecule binding data for protein Dopamine Receptor D2, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P19020, P21917, P35462, and P61169
DOI: 10.7270/q24m954b
title: BindingDB Entry 50035693: Binary drugs: conjugates of purines and a peptide that bind to both adenosine and substance P receptors.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P14600
DOI: 10.7270/q25h7gxw
title: BindingDB Entry 50036590: Design of highly potent noncovalent thrombin inhibitors that utilize a novel lipophilic binding pocket in the thrombin active site.

description: Small molecule binding data for protein Plasminogen, Prothrombin, Tissue-type plasminogen activator, and Trypsin-1, Uniprot P00734, P00747, P00750, and P07477
DOI: 10.7270/q25q4wgz
title: BindingDB Entry 50033954: Optimization of (arylpiperazinylbutyl)oxindoles exhibiting selective 5-HT7 receptor antagonist activity.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 7 (5-HT7), and Serotonin (5-HT) receptor, Uniprot P19327, P28223, and P34969
DOI: 10.7270/q2697437
title: BindingDB Entry 50034842: Design and synthesis of phosphinic acids that triply inhibit endothelin converting enzyme, angiotensin converting enzyme and neutral endopeptidase 24.11

description: Small molecule binding data for protein Angiotensin-converting enzyme, Endothelin-converting enzyme 1 (ECE1), and Neutral Endopeptidase (NEP), Uniprot P07861, P42892, and P47820
DOI: 10.7270/q2736rp5
title: BindingDB Entry 50037510: Replacement of Phe6, Phe7, and Phe11 of D-Trp8-somatostatin-14 with L-pyrazinylalanine. Predicted and observed effects on binding affinities at hSST2 and hSST4. An unexpected effect of the chirality of Trp8 on NMR spectra in methanol.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30874 and P31391
DOI: 10.7270/q27m08t2
title: BindingDB Entry 50038390: Inhibitors of anthrax lethal factor based upon N-oleoyldopamine.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q28053c5
title: BindingDB Entry 50037500: Are L-adenosine and its derivatives substrates for S-adenosyl-L-homocysteine hydrolase?

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q28916hs
title: BindingDB Entry 50036600: Synthesis and biological characterization of 1,4,5,6-tetrahydropyrimidine and 2-amino-3,4,5,6-tetrahydropyridine derivatives as selective m1 agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P12657 and Q9ERZ3
DOI: 10.7270/q28c9wtt
title: BindingDB Entry 50035691: Methotrexate analogues. 30. Dihydrofolate reductase inhibition and in vitro tumor cell growth inhibition by N epsilon-(haloacetyl)-L-lysine and N delta-(haloacetyl)-L-ornithine analogues and an acivicin analogue of methotrexate.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00375
DOI: 10.7270/q29887p2
title: BindingDB Entry 50036589: (E)- and (Z)-7-arylidenenaltrexones: synthesis and opioid receptor radioligand displacement assays.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q29g5n6p
title: BindingDB Entry 50033953: Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells.

description: Small molecule binding data for protein SRC, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase ABL1, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519, P08631, P11309, and P12931
DOI: 10.7270/q2b27vsq
title: BindingDB Entry 50034840: Synthesis and evaluation of 2-(biphenylmethyl)glutaric acid amide derivatives as neutral endopeptidase inhibitors.

description: Small molecule binding data for protein Neprilysin, Uniprot P08473
DOI: 10.7270/q2cc11k7
title: BindingDB Entry 50038389: Bornyl (3,4,5-trihydroxy)-cinnamate--an optimized human neutrophil elastase inhibitor designed by free energy calculations.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2d50nj3
title: BindingDB Entry 50035690: Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships.

description: Small molecule binding data for protein DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P18901, P23977, P31652, and P61169
DOI: 10.7270/q2dv1kc9
title: BindingDB Entry 50034850: The first selective antagonist for a GABAC receptor

description: Small molecule binding data for protein GABA-B receptor 1/2, Uniprot O75899, O88871, Q9UBS5, and Q9Z0U4
DOI: 10.7270/q2f76czf
title: BindingDB Entry 50033952: Discovery of potent and novel S-nitrosoglutathione reductase inhibitors devoid of cytochrome P450 activities.

description: Small molecule binding data for protein Cytochrome P450 2C19, Uniprot P33261
DOI: 10.7270/q2ft8mh4
title: BindingDB Entry 50034839: Design, synthesis, and evaluation of fibrinogen inhibitors, -(p-amidinophenoxy) alkanoylaspartic acid derivatives

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2h41sb1
title: BindingDB Entry 50038388: Activation of inhibitors by sortase triggers irreversible modification of the active site.

description: Small molecule binding data for protein Sortase A (SrtA)
DOI: 10.7270/q2hh6kth
title: BindingDB Entry 50037498: Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory properties.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P06276, P22303, P35563, and Q9JJ16
DOI: 10.7270/q2ht2q00
title: BindingDB Entry 50036596: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Cerebral cortex alpha adrenergic receptor, DRD1, DRD2, Dopamine D1 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, OPIATE Sigma, Serotonin (5-HT) receptor, Serotonin 1d (5-HT1d) receptor, Serotonin 2a (5-HT2a) receptor, Serotonin 3 receptor (5HT3), Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor, and Sigma, Uniprot A5X5Y0, O95264, P08908, P14416, P18130, P19327, P20288, P28335, P31390, P35462, P46098, P79400, Q61616, Q70Z44, Q75Z89, Q8WXA8, Q95136, Q99720, Q9JHJ5, and Q9R0C9
DOI: 10.7270/q2hx1d8h
title: BindingDB Entry 50035688: Synthesis of glycopyranosylphosphonate analogues of certain natural nucleoside diphosphate sugars as potential inhibitors of glycosyltransferases.

description: Small molecule binding data for protein N-acetyllactosaminide alpha-1,3-galactosyltransferase, Uniprot P23336
DOI: 10.7270/q2jm2b31
title: BindingDB Entry 50034849: Design of MHC class II (DR4) ligands using conformationally restricted imino acids at p3 and p5

description: Small molecule binding data for protein Human leukocyte antigen DR beta chain and TRAIL receptor-1, Uniprot O00220 and P79483
DOI: 10.7270/q2k074p5
title: BindingDB Entry 50033951: Design and evaluation of a novel fluorescent CB2 ligand as probe for receptor visualization in immune cells.

description: Small molecule binding data for protein Cannabinoid receptor 2, Uniprot P34972
DOI: 10.7270/q2m909fv
title: BindingDB Entry 50037507: Synthesis and monoamine transporter binding properties of 3alpha-(substituted phenyl)nortropane-2beta-carboxylic acid methyl esters. Norepinephrine transporter selective compounds.

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/q2mw2j2f
title: BindingDB Entry 50038387: Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases.

description: Small molecule binding data for protein Geranylgeranyl Diphosphate Synthase (GGPPS) and Geranylgeranyl diphosphate synthase (GGPPS), Uniprot O95749 and Q12051
DOI: 10.7270/q2nk3fpv
title: BindingDB Entry 50036595: Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase and Human immunodeficiency virus type 2 integrase
DOI: 10.7270/q2np251p
title: BindingDB Entry 50035686: Aromatase inhibition by 5-substituted pyrimidines and dihydropyrimidines.

description: Small molecule binding data for protein Cytochrome P450 19A1, Uniprot P22443
DOI: 10.7270/q2pr7wcr
title: BindingDB Entry 50033950: Discovery of novel imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, SRC, and Tyrosine-protein kinase BRK, Uniprot P06239, Q13882, and Q96GD4
DOI: 10.7270/q2r2125k
title: BindingDB Entry 50037506: Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Uniprot P05177
DOI: 10.7270/q2rn38r9
title: BindingDB Entry 50038386: Sensitivity of monkey B virus (Cercopithecine herpesvirus 1) to antiviral drugs: role of thymidine kinase in antiviral activities of substrate analogs and acyclonucleosides.

description: Small molecule binding data for protein Thymidine kinase
DOI: 10.7270/q2s75h1q
title: BindingDB Entry 50036594: HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2sf2ws2
title: BindingDB Entry 50035685: Design of nonpeptidal ligands for a peptide receptor: cholecystokinin antagonists.

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P30551, P32239, and Q63931
DOI: 10.7270/q2t1544r
title: BindingDB Entry 50034847: Novel inhibitors of influenza sialidase related to GG167 Synthesis of 4-amino and guanidino-4H-pyran-2-carboxylic acid-6-propylamides; selective inhibitors of influenza a virus sialidase

description: Small molecule binding data for protein Neuraminidase A and Neuraminidase B, Uniprot P03468 and P03474
DOI: 10.7270/q2td9xrn
title: BindingDB Entry 50033949: Ursolic acid is a PPAR-a agonist that regulates hepatic lipid metabolism.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot Q07869
DOI: 10.7270/q2vt1sw6
title: BindingDB Entry 50037504: Decoys for docking.

description: Small molecule binding data for protein Beta-lactamase AmpC, Lysozyme(L99A), and Lysozyme(L99A/M102Q), Uniprot P00811
DOI: 10.7270/q2x067qk
title: BindingDB Entry 50036592: Synthesis, dopamine transporter affinity, dopamine uptake inhibition, and locomotor stimulant activity of 2-substituted 3 beta-phenyltropane derivatives.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2x63nc0
title: BindingDB Entry 50033956: Identification and SAR of a new series of thieno[3,2-d]pyrimidines as Tpl2 kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 8, Uniprot P41279
DOI: 10.7270/q2x63nj7
title: BindingDB Entry 50035684: Novel renin inhibitors containing analogues of statine retro-inverted at the C-termini: specificity at the P2 histidine site.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2xs5vwt
title: BindingDB Entry 50034846: Synthesis and properties of 25 and 35 linked -oligoriboadenylates

description: Small molecule binding data for protein RNase L, Uniprot Q05823 and Q05921
DOI: 10.7270/q2z60pfg
title: BindingDB Entry 50033948: Phenylethynylbenzenesulfonamide regioisomers strongly and selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic isoforms I and II.

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/q20r9q26
title: BindingDB Entry 50036602: N-[2-[(substituted chroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylamines: synthesis and wide range of antagonism at the human 5-HT1A receptor.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P19327 and P61169
DOI: 10.7270/q20z73p4
title: BindingDB Entry 50033963: Effects of linker elongation in a series of N-(2-benzofuranylmethyl)-N'-(methoxyphenylalkyl)piperazines¿? receptor ligands.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, OPIATE Sigma, and Serotonin receptor (2b and 2c), Uniprot P14416, P41595, and Q9R0C9
DOI: 10.7270/q21j9b8k
title: BindingDB Entry 50034853: IRL 2500: A potent ETB selective endothelin antagonist

description: Small molecule binding data for protein Endothelin receptor ET-A and Endothelin receptor ET-B, Uniprot P35463 and Q29010
DOI: 10.7270/q22v2h0t
title: BindingDB Entry 50038399: Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272 and P34972
DOI: 10.7270/q23b60xc
title: BindingDB Entry 50037511: Antineoplastic agents. 445. Synthesis and evaluation of structural modifications of (Z)- and (E)-combretastatin A-41.

description: Small molecule binding data for protein Tubulin beta-1 chain, Uniprot Q9H4B7
DOI: 10.7270/q24j0frm
title: BindingDB Entry 50036601: Synthesis and transporter binding properties of 2,3-diphenyltropane stereoisomers. Comparison to 3beta-phenyltropane-2beta-carboxylic acid esters.

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/q24q7vc1
title: BindingDB Entry 50033962: Synthesis, biological evaluation, and automated docking of constrained analogues of the opioid peptide H-Dmt-D-Ala-Phe-Gly-NH2 using the 4- or 5-methyl substituted 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one scaffold.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P35372, P41143, and P97266
DOI: 10.7270/q25b030v
title: BindingDB Entry 50034852: 6-Deoxy-6-hydroxymethyl scyllo-inositol 1,2,4-trisphosphate: A potent agonist at the inositol 1,4,5-trisphosphate receptor

description: Small molecule binding data for protein Inositol 1,4,5-trisphosphate binding protein, Uniprot Q62688
DOI: 10.7270/q26m37pp
title: BindingDB Entry 50038398: Mono- and dialkyl isoprenoid bisphosphonates as geranylgeranyl diphosphate synthase inhibitors.

description: Small molecule binding data for protein Geranylgeranyl Diphosphate Synthase (GGPPS), Uniprot O95749
DOI: 10.7270/q27945bz
title: BindingDB Entry 50036608: Synthesis and biology of the conformationally restricted ACPD analogue, 2-aminobicyclo[2.1.1]hexane-2,5-dicarboxylic acid-I, a potent mGluR agonist.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, and metabotropic glutamate 1c, Uniprot O15303, P41594, Q13255, Q14416, Q14832, and Q14833
DOI: 10.7270/q27d2vqf
title: BindingDB Entry 50035701: Spiro hydantoin aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase (ALR2) and Aldose reductase (AR), Uniprot P15121 and P16116
DOI: 10.7270/q2833sjz
title: BindingDB Entry 50034860: New simplified inhibitors of EPSP synthase: The importance of ring size for recognition at the shikimate 3-phosphate site

description: Small molecule binding data for protein 5-enolpyruvylshikimate-3-phosphate synthase, Uniprot P0A6D3
DOI: 10.7270/q28g8m29
title: BindingDB Entry 50033961: Exploration of pyridine containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2930tpb
title: BindingDB Entry 50034851: Inhibition of mevalonate 5-pyrophosphate decarboxylase by a proline-containing transition state analog

description: Small molecule binding data for protein Mevalonate pyrophosphate decarboxylase, Uniprot P53602
DOI: 10.7270/q2bc40dd
title: BindingDB Entry 50038397: Kinetic characterization of squalene synthase from Trypanosoma cruzi: selective inhibition by quinuclidine derivatives.

description: Small molecule binding data for protein Squalene synthetase, Uniprot P37268
DOI: 10.7270/q2br8szd
title: BindingDB Entry 50037509: New selective AT2 receptor ligands encompassing a gamma-turn mimetic replacing the amino acid residues 4-5 of angiotensin II act as agonists.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P50052
DOI: 10.7270/q2c53mdq
title: BindingDB Entry 50035700: Design, structure-activity, and molecular modeling studies of potent renin inhibitory peptides having N-terminal Nin-For-Trp (Ftr): angiotensinogen congeners modified by P1-P1' Phe-Phe, Sta, Leu psi[CH(OH)CH2]Val or leu psi[CH2NH]Val substitutions.

description: Small molecule binding data for protein Renin, Uniprot P00797 and P08424
DOI: 10.7270/q2d21z8k
title: BindingDB Entry 50036599: 19-nor-10-azasteroids: a novel class of inhibitors for human steroid 5alpha-reductases 1 and 2.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1) and Steroid 5-alpha-reductase, Uniprot P18405 and P31213
DOI: 10.7270/q2d79bsm
title: BindingDB Entry 50033960: Selective water-soluble gelatinase inhibitor prodrugs.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P14780, and P50281
DOI: 10.7270/q2fj2hkr
title: BindingDB Entry 50037516: Second generation transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase.

description: Small molecule binding data for protein Methylthioadenosine Phosphorylase (MTAP), Uniprot Q13126
DOI: 10.7270/q2g44r56
title: BindingDB Entry 50038396: Design, synthesis, and SAR of new pyrrole-oxindole progesterone receptor modulators leading to 5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile (WAY-255348).

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, and P10275
DOI: 10.7270/q2gh9jqk
title: BindingDB Entry 50037508: Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2gt5nv6
title: BindingDB Entry 50036606: Second generation"peptoid" CCK-B receptor antagonists: identification and development of N-(adamantyloxycarbonyl)-alpha-methyl-(R)-tryptophan derivative (CI-1015) with an improved pharmacokinetic profile.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551 and P56481
DOI: 10.7270/q2gx4c44
title: BindingDB Entry 50035699: Synthesis and biological evaluation of 8-deazahomofolic acid and its tetrahydro derivative.

description: Small molecule binding data for protein AICAR transformylase, Dihydrofolate reductase, Glycinamide ribonucleotide formyltransferase (GARFTase), Thymidylate Synthase (TS), and Thymidylate synthase, Uniprot P00381, P00469, P22102, and P31939