cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2b56m8r
title: BindingDB Entry 50044179: Design of novel potent antihyperlipidemic agents with antioxidant/anti-inflammatory properties: exploiting phenothiazine's strong antioxidant activity.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2bp046z
title: BindingDB Entry 50043101: Direct targeting ofß-catenin: Inhibition of protein-protein interactions for the inactivation of Wnt signaling.

description: Small molecule binding data for protein Catenin beta-1, Uniprot P35222
DOI: 10.7270/q2br8tf3
title: BindingDB Entry 50042083: Interaction of cations, anions, and weak base quinine with rat renal cation transporter rOCT2 compared with rOCT1.

description: Small molecule binding data for protein Adrenaline alpha1 and Adrenaline alpha2, Uniprot Q63089 and Q9R0W2
DOI: 10.7270/q2fx7bz9
title: BindingDB Entry 50044178: Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Cholinesterase, Uniprot P06276, P22303, and P56817
DOI: 10.7270/q2gh9k68
title: BindingDB Entry 50042082: Steroid and bile acid conjugates are substrates of human multidrug-resistance protein (MRP) 4 (ATP-binding cassette C4).

description: Small molecule binding data for protein Multidrug resistance-associated protein 4, Uniprot O15439
DOI: 10.7270/q2gt5ph4
title: BindingDB Entry 50042620: Principles and applications of halogen bonding in medicinal chemistry and chemical biology.

description: Small molecule binding data for protein Cathepsin L1 and Dual specificity mitogen-activated protein kinase kinase 1, Uniprot P07711 and Q02750
DOI: 10.7270/q2kk9dbm
title: BindingDB Entry 50044177: X-ray structural and biological evaluation of a series of potent and highly selective inhibitors of human coronavirus papain-like proteases.

description: Small molecule binding data for protein Replicase polyprotein 1a, Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin carboxyl-terminal hydrolase 20, Ubiquitin carboxyl-terminal hydrolase 21, Ubiquitin carboxyl-terminal hydrolase 7, and Ubiquitin carboxyl-terminal hydrolase 8, Uniprot O75604, P0C6U6, P40818, Q93009, Q9UK80, and Q9Y2K6
DOI: 10.7270/q2m32x05
title: BindingDB Entry 50041407: Synthesis and biological evaluation of dimeric RGD peptide-paclitaxel conjugate as a model for integrin-targeted drug delivery.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2m909x4
title: BindingDB Entry 50042081: Transport characteristics of fexofenadine in the Caco-2 cell model.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2mk6f6d
title: BindingDB Entry 50042619: Synthesis of 1,4-bis(indolin-1-ylmethyl)benzene derivatives and their structure-activity relationships for the interaction of human carbonic anhydrase isoforms I and II.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2nz8938
title: BindingDB Entry 50043679: TBA

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B1, Cytochrome P450 11B2, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P10635, P11511, P11712, P15393, P15538, P19099, and P30099
DOI: 10.7270/q2qv3nq5
title: BindingDB Entry 50041403: Peptoid-peptide hybrids as potent novel melanocortin receptor ligands.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P41149, and P41968
DOI: 10.7270/q2r78gk9
title: BindingDB Entry 50042618: Fluorescence study for selecting specific ligands toward HER2 receptor: an example of receptor fragment approach.

description: Small molecule binding data for protein Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P04626
DOI: 10.7270/q2v40wqx
title: BindingDB Entry 50044175: 4,5,6,7-Tetrahydro-isoxazolo-[4,5-c]-pyridines as a new class of cytotoxic Hsp90 inhibitors.

description: Small molecule binding data for protein Heat shock protein HSP90, Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P07900, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UQL6, and Q9Y618
DOI: 10.7270/q2vh5q21
title: BindingDB Entry 50041402: AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomerase.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P45568
DOI: 10.7270/q2w0978k
title: BindingDB Entry 50042617: Carbonic anhydrase IX as a target for metastatic disease.

description: Small molecule binding data for protein Carbonic anhydrase 12 and Carbonic anhydrase 9, Uniprot O43570 and Q16790
DOI: 10.7270/q2xg9skc
title: BindingDB Entry 50043677: TBA

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b), Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O95271, P09874, P12268, and Q9H2K2
DOI: 10.7270/q21837z8
title: BindingDB Entry 50043684: Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins.

description: Small molecule binding data for protein Kallikrein 14, Kallikrein 5, Kallikrein 7, and Matriptase, Uniprot P49862, Q9P0G3, and Q9Y5Y6
DOI: 10.7270/q22n53tp
title: BindingDB Entry 50044181: Targeting carnitine biosynthesis: discovery of new inhibitors against¿-butyrobetaine hydroxylase.

description: Small molecule binding data for protein Gamma-butyrobetaine dioxygenase, Uniprot O75936
DOI: 10.7270/q2319x3t
title: BindingDB Entry 50041417: 8-Piperazinyl-2,3-dihydropyrrolo[3,2-g]isoquinolines: potent, selective, orally bioavailable 5-HT1 receptor ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, and 5-hydroxytryptamine receptor 1D, Uniprot P08908, P28221, and P28222
DOI: 10.7270/q23j3f85
title: BindingDB Entry 50042623: A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q25140p0
title: BindingDB Entry 50043683: Design, synthesis and evaluation of 7-azaindazolyl-indolyl-maleimides as glycogen synthase kinase-3ß (GSK-3ß) inhibitors.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Mitogen-activated protein kinase 3, and Serine/threonine-protein kinase Aurora, Uniprot O14920, O14965, and P27361
DOI: 10.7270/q25d8tc6
title: BindingDB Entry 50044188: Synthesis and carbonic anhydrase I, II, IX and XII inhibition studies of 4-N,N-disubstituted sulfanilamides incorporating 4,4,4-trifluoro-3-oxo-but-1-enyl, phenacylthiourea and imidazol-2(3H)-one/thione moieties.

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/q26d5vj1
title: BindingDB Entry 50044180: Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374 and P22906
DOI: 10.7270/q26t0nvt
title: BindingDB Entry 50041415: Design and synthesis of a novel peptidomimetic inhibitor of HIV-1 Tat-TAR interactions: squaryldiamide as a new potential bioisostere of unsubstituted guanidine.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 Tat protein, Uniprot P04608
DOI: 10.7270/q279460w
title: BindingDB Entry 50042622: Identification of inhibitors against interaction between pro-inflammatory sPLA2-IIA protein and integrinavß3.

description: Small molecule binding data for protein Phospholipase A2, membrane associated, Uniprot P14555
DOI: 10.7270/q28s4rd1
title: BindingDB Entry 50043682: TBA

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 5 ( NPY Y5), and PPYR1, Uniprot P25929, P49146, P50391, and Q15761
DOI: 10.7270/q29p332k
title: BindingDB Entry 50043109: Spongiacidin C, a pyrrole alkaloid from the marine sponge Stylissa massa, functions as a USP7 inhibitor.

description: Small molecule binding data for protein Sentrin-specific protease 1 (SENP1), Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin carboxyl-terminal hydrolase 21, Ubiquitin carboxyl-terminal hydrolase 7, and Ubiquitin carboxyl-terminal hydrolase 8, Uniprot O75604, P40818, Q93009, Q9P0U3, and Q9UK80
DOI: 10.7270/q29w0gr1
title: BindingDB Entry 50042091: Enhanced cellular uptake and in vitro antitumor activity of short-chain fatty acid acylated daunorubicin-GnRH-III bioconjugates.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q2bk1dkj
title: BindingDB Entry 50041412: Design, synthesis, and antiviral activity of adenosine 5'-phosphonate analogues as chain terminators against hepatitis C virus.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2c24xr8
title: BindingDB Entry 50042621: Characterization of human carbonic anhydrase XII stability and inhibitor binding.

description: Small molecule binding data for protein Carbonic anhydrase 12, Uniprot O43570
DOI: 10.7270/q2dj5h4r
title: BindingDB Entry 50043681: TBA

description: Small molecule binding data for protein Bile salt export pump (BSEP), C-C chemokine receptor type 2, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2), Neurokinin 1 receptor, and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O95342, O95950, P09874, P14416, P25103, P35367, P41597, and Q9UGN5
DOI: 10.7270/q2f47qqs
title: BindingDB Entry 50044722: Structure-activity profiles of novel 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolates with modified amino acids for cellular uptake by folate receptorsa andß and the proton-coupled folate transporter.

description: Small molecule binding data for protein Folate receptor alpha, Folate receptor beta, Folate transporter 1, Glycinamide ribonucleotide formyltransferase (GARFTase), and Proton-coupled folate transporter, Uniprot P14207, P15328, P22102, P41440, and Q96NT5
DOI: 10.7270/q2ff3tr2
title: BindingDB Entry 50043108: Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: role of the chirality on the biological activity.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2fj2j2f
title: BindingDB Entry 50042090: Discovery of N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors using common-feature pharmacophore model based virtual screening and hit-to-lead optimization.

description: Small molecule binding data for protein Casein kinase I delta/epsilon, Casein kinase I isoform alpha (CK1 Alpha), and Casein kinase I isoform delta, Uniprot P48729, P48730, and P49674
DOI: 10.7270/q2gb258t
title: BindingDB Entry 50041408: 4-phenoxypiperidines: potent, conformationally restricted, non-imidazole histamine H3 antagonists.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q2j967v2
title: BindingDB Entry 50043680: TBA

description: Small molecule binding data for protein DNA ligase, Uniprot Q9AIU7
DOI: 10.7270/q2jq12hr
title: BindingDB Entry 50044185: Synthesis and evaluation of new Hsp90 inhibitors based on a 1,4,5-trisubstituted 1,2,3-triazole scaffold.

description: Small molecule binding data for protein Heat shock protein HSP90, Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P07900, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2jw8ggn
title: BindingDB Entry 50044721: ST7612AA1, a thioacetate-¿(¿-lactam carboxamide) derivative selected from a novel generation of oral HDAC inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2k35w2g
title: BindingDB Entry 50043107: Synthesis of kojic acid derivatives as secondary binding site probes of D-amino acid oxidase.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot P00371 and P14920
DOI: 10.7270/q2pc33x3
title: BindingDB Entry 50044184: Identification and optimization of new dual inhibitors of B-Raf and epidermal growth factor receptor kinases for overcoming resistance against vemurafenib.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2pn977t
title: BindingDB Entry 50044720: Chalcones as positive allosteric modulators ofa7 nicotinic acetylcholine receptors: a new target for a privileged structure.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P36544
DOI: 10.7270/q2pv6mr1
title: BindingDB Entry 50043106: Manzamine A, a marine-derived alkaloid, inhibits accumulation of cholesterol ester in macrophages and suppresses hyperlipidemia and atherosclerosis in vivo.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q2q241hg
title: BindingDB Entry 50042088: Synthesis and identification of novel indolo[2,3-a]pyrimido[5,4-c]carbazoles as a new class of anti-cancer agents.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q2sq91tk
title: BindingDB Entry 50043678: TBA

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 2E1, Uniprot P05177, P05181, P10632, P10635, P11509, P11712, P20813, and P33261
DOI: 10.7270/q2t43vm0
title: BindingDB Entry 50044183: The applications of binuclear metallohydrolases in medicine: recent advances in the design and development of novel drug leads for purple acid phosphatases, metallo-ß-lactamases and arginases.

description: Small molecule binding data for protein Arginase-1, Beta-lactamase L1, Beta-lactamase type II, and Fe(3+)-Zn(2+) purple acid phosphatase, Uniprot P07824, P25910, P52700, and P80366
DOI: 10.7270/q2td9zzr
title: BindingDB Entry 50044719: Identification of two novel RET kinase inhibitors through MCR-based drug discovery: design, synthesis and evaluation.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Uniprot P07949
DOI: 10.7270/q2tm7ch6
title: BindingDB Entry 50043105: Functional consequences of retro-inverso isomerization of a miniature protein inhibitor of the p53-MDM2 interaction.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2tt4s7h
title: BindingDB Entry 50042087: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1.

description: Small molecule binding data for protein Oligopeptide transporter small intestine isoform and Oligopeptide transporter, kidney isoform, Uniprot P46059 and Q63424
DOI: 10.7270/q2xw4mbd
title: BindingDB Entry 50044182: Differences in conformational dynamics between Plasmodium falciparum and human Hsp90 orthologues enable the structure-based discovery of pathogen-selective inhibitors.

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1 and Heat shock protein HSP90, Uniprot P07900 and P08238
DOI: 10.7270/q2zc848c
title: BindingDB Entry 50043104: Synthesis and biological evaluation of C-glucosides with azulene rings as selective SGLT2 inhibitors for the treatment of type 2 diabetes mellitus: discovery of YM543.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q2zk5hzt
title: BindingDB Entry 50042086: Imatinib mesylate is a potent inhibitor of the ABCG2 (BCRP) transporter and reverses resistance to topotecan and SN-38 in vitro.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q21n82nv
title: BindingDB Entry 50044189: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis.

description: Small molecule binding data for protein Casein kinase I isoform delta, Uniprot P48730
DOI: 10.7270/q21z460k
title: BindingDB Entry 50044725: Repurposing the antihistamine terfenadine for antimicrobial activity against Staphylococcus aureus.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2251kk0
title: BindingDB Entry 50043111: Potent suppression of c-di-GMP synthesis via I-site allosteric inhibition of diguanylate cyclases with 2'-F-c-di-GMP.

description: Small molecule binding data for protein RocR
DOI: 10.7270/q22b9094
title: BindingDB Entry 50042093: D-proline-based peptidomimetic inhibitors of anthrax lethal factor.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q25m679k
title: BindingDB Entry 50044724: Synthesis, structure-activity relationship studies, and antibacterial evaluation of 4-chromanones and chalcones, as well as olympicin A and derivatives.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q25x2bbv
title: BindingDB Entry 50043110: Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2639r1g
title: BindingDB Entry 50042092: Synthesis and evaluation of novel anti-proliferative pyrroloazepinone and indoloazepinone oximes derived from the marine natural product hymenialdisine.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Glycogen synthase kinase-3, and Serine/threonine-protein kinase CHK2, Uniprot O96017, P06493, P14635, and P49841
DOI: 10.7270/q2959k3x
title: BindingDB Entry 50044187: Discovery of 3-(4-methanesulfonylphenoxy)-N-[1-(2-methoxy-ethoxymethyl)-1H-pyrazol-3-yl]-5-(3-methylpyridin-2-yl)-benzamide as a novel glucokinase activator (GKA) for the treatment of type 2 diabetes mellitus.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Hexokinase type IV, Uniprot P11712 and P35557
DOI: 10.7270/q29c700v
title: BindingDB Entry 50044723: Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q29k4cf5
title: BindingDB Entry 50041429: Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, P29275, P30542, and P30543
DOI: 10.7270/q2cj8fzh
title: BindingDB Entry 50043689: Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2dz09tg
title: BindingDB Entry 50044186: Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa).

description: Small molecule binding data for protein Carboxypeptidase N, catalytic subunit and Thrombin-activable fibrinolysis inhibitor (TAFIa), Uniprot P15169 and Q96IY4
DOI: 10.7270/q2fb545w
title: BindingDB Entry 50041428: Substituted 2-thioxoimidazolidin-4-ones and imidazolidine-2,4-diones as fatty acid amide hydrolase inhibitors templates.

description: Small molecule binding data for protein Anandamide amidohydrolase, Uniprot P97612
DOI: 10.7270/q2h996p7
title: BindingDB Entry 50043688: Synthesis and biological evaluation of new epalrestat analogues as aldose reductase inhibitors (ARIs).

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2k35vwt
title: BindingDB Entry 50041426: Design, synthesis and in vitro antimalarial activity of an acylhydrazone library.

description: Small molecule binding data for protein Histidine-rich protein, Uniprot P05227
DOI: 10.7270/q2k938sr
title: BindingDB Entry 50042089: Structure-activity relationship and antitumor activity of thio-benzodiazepines as p53-MDM2 protein-protein interaction inhibitors.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2kk9d5c
title: BindingDB Entry 50042627: Ridaifen B, a tamoxifen derivative, directly binds to Grb10 interacting GYF protein 2.

description: Small molecule binding data for protein PERQ amino acid-rich with GYF domain-containing protein 2, Uniprot Q6Y7W6
DOI: 10.7270/q2n29zdk
title: BindingDB Entry 50043687: Novel 2-chloro-4-anilino-quinazoline derivatives as EGFR and VEGFR-2 dual inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2p270dj
title: BindingDB Entry 50042096: Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.

description: Small molecule binding data for protein CDK6/G1/S-specific cyclin D3 and Cyclin-Dependent Kinase 1 (CDK1), Uniprot P06493, P14635, P30281, and Q00534
DOI: 10.7270/q2pv6mm7
title: BindingDB Entry 50041421: Optimization of the in vitro and in vivo properties of a novel series of 2,4,5-trisubstituted imidazoles as potent cholecystokinin-2 (CCK2) antagonists.

description: Small molecule binding data for protein CCKBR and Cholecystokinin B receptor, Uniprot P30552 and P30553
DOI: 10.7270/q2qc04vs
title: BindingDB Entry 50042626: Design, synthesis, and biological evaluation of 3-aryl-3-hydroxy-1-phenylpyrrolidine derivatives as novel androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2rr20q6
title: BindingDB Entry 50043686: Evaluation of benzoic acid derivatives as sirtuin inhibitors.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, Uniprot Q96EB6