cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m32ttp
title: BindingDB Entry 50005782: Dianilinophthalimides: potent and selective, ATP-competitive inhibitors of the EGF-receptor protein tyrosine kinase.

description: Small molecule binding data for protein Cyclic AMP-dependent protein kinase (PKA), Epidermal growth factor receptor, PDGFR-beta/Platelet-derived growth factor receptor alpha, Tyrosine-protein kinase ABL, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519, P00533, P05622, P12931, P26618, P42684, and Q95J97
DOI: 10.7270/q2pr7v3r
title: BindingDB Entry 50008126: The synthesis of new adenosine A3 selective ligands containing bioisosteric isoxazoles.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, and Adenosine receptor A3, Uniprot P0DMS8, P25099, and P30543
DOI: 10.7270/q2qj7g8p
title: BindingDB Entry 50001124: (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: a putative 5-HT1A-receptor antagonist.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P19327
DOI: 10.7270/q2qn661w
title: BindingDB Entry 50010276: New diarylmethylpiperazines as potent and selective nonpeptidic delta opioid receptor agonists with increased In vitro metabolic stability.

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/q2qv3kj3
title: BindingDB Entry 50005779: Structure-activity relationships in a series of 5-[(2,5-dihydroxybenzyl)amino]salicylate inhibitors of EGF-receptor-associated tyrosine kinase: importance of additional hydrophobic aromatic interactions.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2sj1jr4
title: BindingDB Entry 50008145: Inhibition of HIV integrase by novel nucleotides bearing tricyclic bases.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2th8kt2
title: BindingDB Entry 50008124: Conformationally constrained analogues of diacylglycerol (DAG). 14. Dissection of the roles of the sn-1 and sn-2 carbonyls in DAG mimetics by isopharmacophore replacement.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2v98729
title: BindingDB Entry 50001122: Novel [(diazomethyl)carbonyl]-1,2,3,4-tetrahydronaphthalene derivatives as potential photoaffinity ligands for the 5-HT1A receptor.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P19327
DOI: 10.7270/q2vd6xqc
title: BindingDB Entry 50010275: Identification of novel inhibitors of urokinase via NMR-based screening.

description: Small molecule binding data for protein Urokinase-type plasminogen activator, Uniprot P00749
DOI: 10.7270/q2vm4b98
title: BindingDB Entry 50005778: Benzo[f]quinazoline inhibitors of thymidylate synthase: methyleneamino-linked aroylglutamate derivatives.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P04818
DOI: 10.7270/q2zc81xn
title: BindingDB Entry 50005800: Antitumor agents. 150. 2',3',4',5',5,6,7-substituted 2-phenyl-4-quinolones and related compounds: their synthesis, cytotoxicity, and inhibition of tubulin polymerization.

description: Small molecule binding data for protein Tubulin, Uniprot Q6B856
DOI: 10.7270/q2125rtc
title: BindingDB Entry 50008173: Pyrazolo[1,5-a]pyrimidine CRF-1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q21v5czj
title: BindingDB Entry 50001227: Propenyl carboxamide derivatives as antagonists of platelet activating factor.

description: Small molecule binding data for protein Platelet activating factor receptor, Uniprot P25105
DOI: 10.7270/q21z43p9
title: BindingDB Entry 50010306: The design and synthesis of novel NK1/NK2 dual antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor and Neurokinin 2 receptor, Uniprot P21452 and P25103
DOI: 10.7270/q2251h7p
title: BindingDB Entry 50005815: Design of orally active, non-peptidic inhibitors of human leukocyte elastase.

description: Small molecule binding data for protein Chymotrypsin and Leukocyte elastase, Uniprot P08246 and Q99895
DOI: 10.7270/q22v2f4s
title: BindingDB Entry 50001149: Synthesis and biological activity of new HMG-CoA reductase inhibitors. 2. Derivatives of 7-(1H-pyrrol-3-yl)-substituted-3,5-dihydroxyhept-6(E)-enoic (-heptanoic) acids.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) and HMG-CoA reductase, Uniprot P04035 and P51639
DOI: 10.7270/q24t6hjs
title: BindingDB Entry 50008172: Thromboxane modulating agents. 4. Design and synthesis of 3-(2-[[(4-chlorophenyl)sulfonyl]-amino]ethyl)benzenepropanoic acid derivatives as potent thromboxane receptor antagonists.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q25q4vbr
title: BindingDB Entry 50010302: Novel, potent and selective chimeric FXa inhibitors featuring hydrophobic P1-ketoamide moieties.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasminogen, Prothrombin, and Trypsin-1, Uniprot P00734, P00742, P00747, and P07477
DOI: 10.7270/q25x280j
title: BindingDB Entry 50005813: Potent, selective, and systemically-available inhibitors of acyl-coenzyme A:cholesterol acyl transferase (ACAT).

description: Small molecule binding data for protein Sterol O-acyltransferase, Soat, Uniprot O70536
DOI: 10.7270/q26m35tn
title: BindingDB Entry 50001148: Cholecystokinin-A receptor ligands based on the kappa-opioid agonist tifluadom.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551 and P32239
DOI: 10.7270/q28k788h
title: BindingDB Entry 50008167: General construction pattern of histamine H3-receptor antagonists: change of a paradigm.

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9QYN8
DOI: 10.7270/q29c6wdm
title: BindingDB Entry 50001225: The development of a novel series of (quinolin-2-ylmethoxy)phenyl-containing compounds as high-affinity leukotriene receptor antagonists. 3. Structural variation of the acidic side chain to give antagonists of enhanced potency.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor, Uniprot Q9Y271
DOI: 10.7270/q29c6wp6
title: BindingDB Entry 50010300: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Serotonin (5-HT) receptor, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08908, P08909, P14842, P28222, P28566, P34969, and P50406
DOI: 10.7270/q29p30qv
title: BindingDB Entry 50005809: Structural features important for sigma 1 receptor binding.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2b8573m
title: BindingDB Entry 50001139: Structure-activity relationships of N2-substituted guanines as inhibitors of HSV1 and HSV2 thymidine kinases.

description: Small molecule binding data for protein Thymidine kinase, Uniprot P06479 and Q9QNF7
DOI: 10.7270/q2db8107
title: BindingDB Entry 50008154: Development of dual-acting agents for thromboxane receptor antagonism and thromboxane synthase inhibition. 2. Design, synthesis, and evaluation of a novel series of phenyl oxazole derivatives.

description: Small molecule binding data for protein Thromboxane A2 receptor and Thromboxane-A synthase, Uniprot P21731 and P24557
DOI: 10.7270/q2f18xqm
title: BindingDB Entry 50001224: Benzophenone dicarboxylic acid antagonists of leukotriene B4. 2. Structure-activity relationships of the lipophilic side chain.

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q2f47ncg
title: BindingDB Entry 50010299: Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human beta3 adrenergic receptor agonists.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2ff3rf6
title: BindingDB Entry 50005807: Dibasic (amidinoaryl)propanoic acid derivatives as novel blood coagulation factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Prothrombin, Uniprot P00734 and P00742
DOI: 10.7270/q2j38rpq
title: BindingDB Entry 50008153: 4-Alkylpiperidines related to SR-48968: potent antagonists of the neurokinin-2 (NK2) receptor.

description: Small molecule binding data for protein Neurokinin 2 receptor, Uniprot P21452
DOI: 10.7270/q2js9pdk
title: BindingDB Entry 50001197: Cyclic hexapeptide oxytocin antagonists. Potency-, selectivity-, and solubility-enhancing modifications.

description: Small molecule binding data for protein Oxytocin receptor and Vasopressin V2 Receptor, Uniprot P70536 and Q00788
DOI: 10.7270/q2jw8d4b
title: BindingDB Entry 50010298: Metal mediated protease inhibition: design and synthesis of inhibitors of the human cytomegalovirus (hCMV) protease.

description: Small molecule binding data for protein Human rhinovirus A protease
DOI: 10.7270/q2k64h4g
title: BindingDB Entry 50005805: Classical and nonclassical furo[2,3-d]pyrimidines as novel antifolates: synthesis and biological activities.

description: Small molecule binding data for protein AICAR transformylase, Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, Dihydrofolate reductase (DHFR), Glycinamide ribonucleotide formyltransferase (GARFTase), Thymidylate Synthase (TS), and Thymidylate synthase, Uniprot P00374, P00381, P00469, P04818, P16184, P22102, P31939, Q07422, and Q920D2
DOI: 10.7270/q2kw5f95
title: BindingDB Entry 50010277: N,N-Diethyl-4-(phenylpiperidin-4-ylidenemethyl)benzamide: a novel, exceptionally selective, potent delta opioid receptor agonist with oral bioavailability and its analogues.

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/q2mw2g89
title: BindingDB Entry 50008176: The design, synthesis, and structure-activity relationships of a series of macrocyclic MMP inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, and P09237
DOI: 10.7270/q2ns0t28
title: BindingDB Entry 50008148: Syntheses of 2-[(3,5-dimethyl-4-methoxypyridyl)alkyl]-benzothiazolidine derivatives as a potential gastric H+/K(+)-ATPase inhibitor.

description: Small molecule binding data for protein Potassium-transporting ATPase alpha chain 1/beta chain, Uniprot P20648 and P51164
DOI: 10.7270/q2pk0f4v
title: BindingDB Entry 50001179: Development of a novel series of (2-quinolinylmethoxy)phenyl-containing compounds as high-affinity leukotriene D4 receptor antagonists. 2. Effects of an additional phenyl ring on receptor affinity.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q2pn94w3
title: BindingDB Entry 50010295: Analogues of SB-203207 as inhibitors of tRNA synthetases.

description: Small molecule binding data for protein Isoleucyl-tRNA synthetase, Leucyl-tRNA synthetase, and Valyl-tRNA synthetase 2, Uniprot P26640, P41972, and Q9P2J5
DOI: 10.7270/q2pv6jf5
title: BindingDB Entry 50005803: Thiopyrano[2,3,4-cd]indoles as 5-lipoxygenase inhibitors: synthesis, biological profile, and resolution of 2-[2-[1-(4-chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5 -dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]ethoxy]butanoic acid.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2rj4hn6
title: BindingDB Entry 50008175: Design and synthesis of conformationally-constrained MMP inhibitors.

description: Small molecule binding data for protein Matrix metalloproteinase-1 (MMP1) and Stromelysin-1, Uniprot P03956 and P08254
DOI: 10.7270/q2sf2vdq
title: BindingDB Entry 50010308: Structure-based design and synthesis of phosphinate isosteres of phosphotyrosine for incorporation in Grb2-SH2 domain inhibitors. Part 1.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q2sn0812
title: BindingDB Entry 50005818: Synthesis, structure-activity relationships, and pharmacological evaluation of a series of fluorinated 3-benzyl-5-indolecarboxamides: identification of 4-[[5-[((2R)-2-methyl-4,4,4-trifluorobutyl)carbamoyl]-1-methyl indol- 3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]benzamide, a potent, orall

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q2tb15wm
title: BindingDB Entry 50001178: Development of a novel series of (2-quinolinylmethoxy)phenyl-containing compounds as high-affinity leukotriene receptor antagonists. 1. Initial structure-activity relationships.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Cysteinyl leukotriene receptor 1, Uniprot P09917 and Q2NNR5
DOI: 10.7270/q2td9wmf
title: BindingDB Entry 50010293: Diphenyl sulfoxides as selective antagonists of the muscarinic M2 receptor.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172 and P11229
DOI: 10.7270/q2tm795w
title: BindingDB Entry 50005802: Calculation of relative differences in the binding free energies of HIV1 protease inhibitors: a thermodynamic cycle perturbation approach.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2x929fd
title: BindingDB Entry 50008144: Novel cytokine release inhibitors. Part I: Triterpenes.

description: Small molecule binding data for protein Caspase-1, Uniprot P29466
DOI: 10.7270/q2xd10qx
title: BindingDB Entry 50005817: Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2z31xnd
title: BindingDB Entry 50001153: Reversible inhibitors of the gastric (H+/K+)-ATPase. 1. 1-Aryl-4-methylpyrrolo[3,2-c]quinolines as conformationally restrained analogues of 4-(arylamino)quinolines.

description: Small molecule binding data for protein Na/K-ATPase, Uniprot P19156
DOI: 10.7270/q2z60nbq
title: BindingDB Entry 50010291: Design and synthesis of piperidinyl piperidine analogues as potent and selective M2 muscarinic receptor antagonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M2, Uniprot P08172, P11229, and P20309
DOI: 10.7270/q2028qp0
title: BindingDB Entry 50008190: A dipyrido [2,3-b:3',2'-f]azepine analog of the HIV-1 reverse transcriptase inhibitor nevirapine.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2154g2v
title: BindingDB Entry 50005847: 1,3-Diarylindan-2-carboxylic acids, potent and selective non-peptide endothelin receptor antagonists.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q23t9gcz
title: BindingDB Entry 50008188: Novel H3 receptor antagonists. Sulfonamide homologs of histamine.

description: Small molecule binding data for protein Histamine H1 receptor and Histamine H3 receptor, Uniprot P31389 and Q9JI35
DOI: 10.7270/q24m93hf
title: BindingDB Entry 50001241: Alfred Burger award address. Bioactive alkaloids. 4. Results of recent investigations with colchicine and physostigmine.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, and P22303
DOI: 10.7270/q24q7t88
title: BindingDB Entry 50010320: (-)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one], a conformationally restricted analogue of acetylcholine, is a highly selective full agonist at the alpha 7 nicotinic acetylcholine receptor.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483, P12390, and Q05941
DOI: 10.7270/q24x56t9
title: BindingDB Entry 50005845: 2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide: an opioid receptor affinity label that produces selective and long-lasting kappa antagonism in mice.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q25m64qq
title: BindingDB Entry 50001226: Stereospecific synthesis, assignment of absolute configuration, and biological activity of the enantiomers of 3-[[[3-[2-(7-chloroquinolin-2-yl)-(E)-ethenyl]phenyl] [[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propionic acid, a potent and specific leukotriene D4 receptor antagonist.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q27m0737
title: BindingDB Entry 50008186: Potent inhibition of protein-tyrosine phosphatase-1B using the phosphotyrosyl mimetic fluoro-O-malonyl tyrosine (FOMT).

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q28c9v7s
title: BindingDB Entry 50001240: Potent renin inhibitory peptides containing hydrophilic end groups.

description: Small molecule binding data for protein Renin, Uniprot P08424
DOI: 10.7270/q28g8jz4
title: BindingDB Entry 50010316: Analogues and derivatives of ciproxifan, a novel prototype for generating potent histamine H3-receptor antagonists.

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9QYN8
DOI: 10.7270/q28p5zjn
title: BindingDB Entry 50005843: Synthesis and structure-activity relationships of deazaxanthines: analogs of potent A1- and A2-adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2cc0zvm
title: BindingDB Entry 50008180: Synthesis of novel substituted pyridines as inhibitors of endothelin converting enzyme-1 (ECE-1).

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE1), Uniprot P42892
DOI: 10.7270/q2d50kx6
title: BindingDB Entry 50001238: Thermodynamics of the interaction of inhibitors with the binding site of recombinant human renin.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2d50m66
title: BindingDB Entry 50010315: Novel heterocycles as selective alpha1-adrenergic receptor antagonists.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2df6q8c
title: BindingDB Entry 50005829: 3'-(Arylmethyl)- and 3'-(aryloxy)-3-phenyl-4-hydroxyquinolin-2(1H)-ones: orally active antagonists of the glycine site on the NMDA receptor.

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q2g44pgd
title: BindingDB Entry 50008199: Design, synthesis, and biological activity of novel purine and bicyclic pyrimidine factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2h41qkb
title: BindingDB Entry 50008179: 3-Pyridyloxypropanolamine agonists of the beta 3 adrenergic receptor with improved pharmacokinetic properties.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2ht2n96
title: BindingDB Entry 50001236: O'-(epoxyalkyl)tyrosines and (epoxyalkyl)phenylalanine as irreversible inactivators of serine proteases: synthesis and inhibition mechanism.

description: Small molecule binding data for protein Alpha-chymotrypsin and Proprotein convertase subtilisin/kexin type 9 (PCSK9), Uniprot P00766 and Q8NBP7
DOI: 10.7270/q2hx1bwr
title: BindingDB Entry 50010312: Dibasic inhibitors of human mast cell tryptase. Part 2: structure-activity relationships and requirements for potent activity.

description: Small molecule binding data for protein Plasminogen, Prothrombin, Trypsin-1, and Tryptase, Uniprot P00734, P00747, P07477, Q15661,P20231, Q9BZJ3, and Q9NRR2
DOI: 10.7270/q2j67g03
title: BindingDB Entry 50005823: Protein kinase C. Modeling of the binding site and prediction of binding constants.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2mp52hj
title: BindingDB Entry 50010324: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2n015m1
title: BindingDB Entry 50005856: Synthesis and carbonic anhydrase inhibitory activity of 4-substituted 2-thiophenesulfonamides.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2nk3d0g
title: BindingDB Entry 50001235: Potent, low molecular weight renin inhibitors containing a C-terminal heterocycle: hydrogen bonding at the active site.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2np23nx
title: BindingDB Entry 50010311: Dibasic inhibitors of human mast cell tryptase. Part 1: synthesis and optimization of a novel class of inhibitors.

description: Small molecule binding data for protein Plasminogen, Prothrombin, Trypsin-1, and Tryptase, Uniprot P00734, P00747, P07477, Q15661,P20231, and Q9NRR2
DOI: 10.7270/q2nz86pn
title: BindingDB Entry 50005821: 6-Alkyl- and 6-arylandrost-4-ene-3,17-diones as aromatase inhibitors. Synthesis and structure-activity relationships.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2qn65x4
title: BindingDB Entry 50008195: Isoxazolylthioamides as potential immunosuppressants a combinatorial chemistry approach.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase, Uniprot Q02127
DOI: 10.7270/q2rr1x9m
title: BindingDB Entry 50005855: Non-peptide angiotensin II receptor antagonists: synthesis and biological activity of a series of novel 4,5-dihydro-4-oxo-3H-imidazo[4,5-c]pyridine derivatives.

description: Small molecule binding data for protein Angiotensin II AT1B, Angiotensin II AT2, and Angiotensin II receptor, Uniprot P29089, P35351, and P50052
DOI: 10.7270/q2sb44qs
title: BindingDB Entry 50001233: Hydroxyethylamine analogues of the p17/p24 substrate cleavage site are tight-binding inhibitors of HIV protease.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2v9877j
title: BindingDB Entry 50008191: Conformationally restricted analogues of nicotine and anabasine.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Uniprot P17787, P30926, P43681, and Q15822
DOI: 10.7270/q2w958bg
title: BindingDB Entry 50008174: Kampanols: novel Ras farnesyl-protein transferase inhibitors from Stachybotrys kampalensis.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356