cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27082td
title: BindingDB Entry 50043280: Cembrane diterpenoids from the soft coral Sarcophyton trocheliophorum Marenzeller as a new class of PTP1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2833tp5
title: BindingDB Entry 50045391: Structure-based design of bacterial nitric oxide synthase inhibitors.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q28p6203
title: BindingDB Entry 50043891: TBA

description: Small molecule binding data for protein Transcription Factor STAT1, Uniprot P42224
DOI: 10.7270/q29c7019
title: BindingDB Entry 50044932: Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119) and Glucose-dependent insulinotropic receptor, Uniprot Q7TQP3 and Q8TDV5
DOI: 10.7270/q2b56m3h
title: BindingDB Entry 50042807: Design, synthesis and in vitro anti-proliferative activity of 4,6-quinazolinediamines as potent EGFR-TK inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2bp047d
title: BindingDB Entry 50043279: One-pot tandem Hurtley-retro-Claisen-cyclisation reactions in the synthesis of 3-substituted analogues of 5-aminoisoquinolin-1-one (5-AIQ), a water-soluble inhibitor of PARPs.

description: Small molecule binding data for protein Poly (ADP-ribose) Polymerase-2 (PARP-2), Poly [ADP-ribose] polymerase 1, and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O88554, P09874, and P18493
DOI: 10.7270/q2cv4kdk
title: BindingDB Entry 50045390: Identification of a novel orally bioavailable phosphodiesterase 10A (PDE10A) inhibitor with efficacy in animal models of schizophrenia.

description: Small molecule binding data for protein Phosphodiesterase Type 10 (PDE10A), Uniprot Q9QYJ6
DOI: 10.7270/q2df6spk
title: BindingDB Entry 50043890: TBA

description: Small molecule binding data for protein Nitric Oxide Synthase, inducible, Uniprot P29477
DOI: 10.7270/q2dv1mfm
title: BindingDB Entry 50044395: Discovery of N-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline (EW-7197): a highly potent, selective, and orally bioavailable inhibitor of TGF-ß type I receptor kinase as cancer immunotherapeutic/antifibrotic agent.

description: Small molecule binding data for protein ALK5, Activin receptor type-1, Activin receptor type-1B, Activin receptor-like kinase 3 (ALK-3), Bone morphogenetic protein receptor type-1B (BMPR1B), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Mitogen-activated protein kinase 14, Serine/threonine-protein kinase RIPK2, Serine/threonine-protein kinase receptor R3, TGF-beta receptor type I, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot O00238, O43353, P05177, P08684, P10635, P11712, P33261, P35968, P36894, P36896, P36897, P37023, Q04771, Q12809, Q16539, and Q64729
DOI: 10.7270/q2f191b9
title: BindingDB Entry 50044931: Serendipitous discovery of 2-((phenylsulfonyl)methyl)-thieno[3,2-d]pyrimidine derivatives as novel HIV-1 replication inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, and P11712
DOI: 10.7270/q2gf0vxw
title: BindingDB Entry 50043278: Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective type 5 17ß-hydroxysteroid dehydrogenase inhibitor.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Aldo-keto reductase family 1 member C2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11712, P33261, P42330, and P52895
DOI: 10.7270/q2hm5b3v
title: BindingDB Entry 50045389: Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their prodrugs as antimalarial agents.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot P00492
DOI: 10.7270/q2j67jd9
title: BindingDB Entry 50043889: Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: synthesis, antitumor testing and molecular modeling study.

description: Small molecule binding data for protein Dihydrofolate reductase (DHFR), Uniprot P00376
DOI: 10.7270/q2jm2c6s
title: BindingDB Entry 50044394: Dual inhibition of thea-glucosidase and butyrylcholinesterase studied by molecular field topology analysis.

description: Small molecule binding data for protein Cholinesterase, Uniprot P06276
DOI: 10.7270/q2js9s1w
title: BindingDB Entry 50044930: The discovery of avanafil for the treatment of erectile dysfunction: a novel pyrimidine-5-carboxamide derivative as a potent and highly selective phosphodiesterase 5 inhibitor.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O77746
DOI: 10.7270/q2m61mp2
title: BindingDB Entry 50043277: Imidazolium-based warheads strongly influence activity of water-soluble peptidic transglutaminase inhibitors.

description: Small molecule binding data for protein Coagulation factor XIII and Protein-glutamine gamma-glutamyltransferase 2 (TG2), Uniprot P00488, P21980, and Q9H035
DOI: 10.7270/q2n87cgr
title: BindingDB Entry 50045388: Synthesis and pharmacological evaluation of dual acting ligands targeting the adenosine A2A and dopamine D2 receptors for the potential treatment of Parkinson's disease.

description: Small molecule binding data for protein Adenosine receptor A2a and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P29274
DOI: 10.7270/q2nz894q
title: BindingDB Entry 50043888: Synthesis and biological evaluation of benzo[4,5]imidazo[1,2-c]pyrimidine and benzo[4,5]imidazo[1,2-a]pyrazine derivatives as anaplastic lymphoma kinase inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor/Nucleophosmin, Uniprot P06748 and Q9UM73
DOI: 10.7270/q2pc33zj
title: BindingDB Entry 50044393: Synthesis and biological evaluation of some new pyrazoline substituted benzenesulfonylurea/thiourea derivatives as anti-hyperglycaemic agents and aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2pg1t2v
title: BindingDB Entry 50042812: Design, synthesis, and binding mode prediction of 2-pyridone-based selective CB2 receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 2, Uniprot P34972
DOI: 10.7270/q2pk0hrr
title: BindingDB Entry 50044929: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity.

description: Small molecule binding data for protein Serum albumin, Uniprot P02768
DOI: 10.7270/q2qz2cdg
title: BindingDB Entry 50043276: Synthesis and in vivo evaluation of [(18)F]2-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione ([(18)F]FECUMI-101) as an imaging probe for 5-HT1A receptor agonist in nonhuman primates.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Histamine H2 Receptor, and Sigma, Uniprot P14416, P25021, P35367, and Q99720
DOI: 10.7270/q2s18451
title: BindingDB Entry 50045387: Design, synthesis and evaluation of novel 2-(1H-imidazol-2-yl) pyridine Sorafenib derivatives as potential BRAF inhibitors and anti-tumor agents.

description: Small molecule binding data for protein RAF serine/threonine protein kinase and Vascular endothelial growth factor receptor 2, Uniprot P15056 and P35968
DOI: 10.7270/q2t43vg6
title: BindingDB Entry 50042811: Novel pseudopeptides incorporating a benzodiazepine-based turn mimetic--targeting Mycobacterium tuberculosis ribonucleotide reductase.

description: Small molecule binding data for protein Ribonucleoside-diphosphate reductase subunit alpha, Uniprot P9WH75
DOI: 10.7270/q2t43vnf
title: BindingDB Entry 50044392: Design and synthesis of novel 2-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazoles as selective COX-2 inhibitors with potent anti-inflammatory activity.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2tb18hx
title: BindingDB Entry 50044928: Identification of a novel 2-pyridyl-benzensulfonamide derivative, RQ-00203078, as a selective and orally active TRPM8 antagonist.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 8 (TRPM8), Transient receptor potential cation channel subfamily V member 4, and Transient receptor potential cation channel subfamily V member 4 (TRPV4), Uniprot O75762, Q6RI86, Q7Z2W7, Q8R455, Q9ERZ8, and Q9HBA0
DOI: 10.7270/q2ws8vwn
title: BindingDB Entry 50045386: Haloperidol metabolite II prodrug: asymmetric synthesis and biological evaluation on rat C6 glioma cells.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, and Sigma-1 receptor, Uniprot P19020, P61169, and Q60492
DOI: 10.7270/q2xs5wz4
title: BindingDB Entry 50044391: Design, synthesis, and biological evaluation of novel FAK scaffold inhibitors targeting the FAK-VEGFR3 protein-protein interaction.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Uniprot Q05397
DOI: 10.7270/q2xw4m55
title: BindingDB Entry 50042810: Synthesis and biological evaluation of substituted imidazoquinoline derivatives as mPGES-1 inhibitors.

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q20k2b62
title: BindingDB Entry 50045393: Sulfonamide inhibition studies of the¿-class carbonic anhydrase from the malaria pathogen Plasmodium falciparum.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q21j9cbw
title: BindingDB Entry 50044398: Anti-inflammatory drimane sesquiterpene lactones from an Aspergillus species.

description: Small molecule binding data for protein Transcription Factor STAT1, Uniprot P42224
DOI: 10.7270/q21v5gkv
title: BindingDB Entry 50044934: 2-Aminopyrimidin-4(1H)-one as the novel bioisostere of urea: discovery of novel and potent CXCR2 antagonists.

description: Small molecule binding data for protein Interleukin-8 receptors, CXCR2, Uniprot P25025
DOI: 10.7270/q2377b4j
title: BindingDB Entry 50043281: Novelß-dicarbonyl derivatives as inhibitors of aminopeptidase N (APN).

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15144 and P15145
DOI: 10.7270/q24b32zt
title: BindingDB Entry 50045392: Synthesis and biological evaluation of picolinamides as potent inhibitors of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1).

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q25b041q
title: BindingDB Entry 50044397: Synthesis, biological evaluation, and molecular docking studies of novel 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety as FAK inhibitors with anticancer activity.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Uniprot Q05397
DOI: 10.7270/q25d8t5h
title: BindingDB Entry 50042816: Synthesis of new fluorinated, 2-substituted 5-pyrrolidinylsulfonyl isatin derivatives as caspase-3 and caspase-7 inhibitors: nonradioactive counterparts of putative PET-compatible apoptosis imaging agents.

description: Small molecule binding data for protein Caspase-1, Caspase-3, Caspase-6, and Caspase-7, Uniprot P29466, P42574, P55210, and P55212
DOI: 10.7270/q27p90wr
title: BindingDB Entry 50043899: Discovery and preclinical characterization of 1-methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): a highly potent, selective, and efficacious metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5, and Phosphodiesterase 11A (PDE11A), Uniprot P41594, Q13255, and Q9HCR9
DOI: 10.7270/q2930vq6
title: BindingDB Entry 50044396: Discovery of novel type II c-Met inhibitors based on BMS-777607.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2959jwt
title: BindingDB Entry 50042815: Arylglycine derivatives as potent transient receptor potential melastatin 8 (TRPM8) antagonists.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Uniprot Q1A7N1
DOI: 10.7270/q2dz09n7
title: BindingDB Entry 50042814: Olive secoiridoids and semisynthetic bioisostere analogues for the control of metastatic breast cancer.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2gm890x
title: BindingDB Entry 50045397: Discovery of triazolone derivatives as novel, potent stearoyl-CoA desaturase-1 (SCD1) inhibitors.

description: Small molecule binding data for protein Acyl-CoA desaturase 1 and Stearoyl-CoA desaturase 1, Uniprot O00767 and P13516
DOI: 10.7270/q2ht2qzj
title: BindingDB Entry 50044938: Cyclic side-chain-linked opioid analogs utilizing cis- and trans-4-aminocyclohexyl-D-alanine.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q2jq12cz
title: BindingDB Entry 50042813: Small molecule inhibitors of PCNA/PIP-box interaction suppress translesion DNA synthesis.

description: Small molecule binding data for protein Proliferating cell nuclear antigen, Uniprot P12004
DOI: 10.7270/q2k64kgs
title: BindingDB Entry 50043285: Catalytic asymmetric total synthesis of (S)-(-)-zearalenone, a novel lipoxygenase inhibitor.

description: Small molecule binding data for protein Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q2mc91ps
title: BindingDB Entry 50045396: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-ß-amyloid (Aß) aggregation and metal chelation properties against Alzheimer's disease.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2n0181n
title: BindingDB Entry 50043896: Discovery of highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Dual specificity protein kinase TTK, and Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot P05177, P33981, and Q5S007
DOI: 10.7270/q2nc62r8
title: BindingDB Entry 50044401: Synthesis and structure-activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors.

description: Small molecule binding data for protein Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase, CDK2/CycE, Casein kinase I isoform alpha (CK1 Alpha), Casein kinase I isoform delta, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 9 (CDK9), and Serine/threonine-protein kinase PIM, Uniprot O00311, O60563, P06493, P11309, P11802, P14635, P24385, P24864, P24941, P48729, P48730, P50750, and Q9UBU7
DOI: 10.7270/q2ng4s1t
title: BindingDB Entry 50042820: Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2nk3gnt
title: BindingDB Entry 50044937: Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK).

description: Small molecule binding data for protein Phospholipase C-gamma-1 and Tyrosine-protein kinase ITK/TSK, Uniprot P19174 and Q08881
DOI: 10.7270/q2pz5b7n
title: BindingDB Entry 50043284: In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q2rr20rn
title: BindingDB Entry 50043895: Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Cytochrome P450 2D6 (2D6), Uniprot P10635 and P11712
DOI: 10.7270/q2sb47b3
title: BindingDB Entry 50044936: Effect of acyclic monoterpene alcohols and their derivatives on TRP channels.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 8 (TRPM8), and Transient receptor potential cation channel subfamily V member 1, Uniprot O75762, Q6RI86, Q7Z2W7, Q8NER1, and Q8R455
DOI: 10.7270/q2tq62zz
title: BindingDB Entry 50043283: Structure activity relationship study of benzo[d]thiazol-2(3H)one baseds receptor ligands.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2vt1trt
title: BindingDB Entry 50045394: Discovery and SAR study of c-Met kinase inhibitors bearing an 3-amino-benzo[d]isoxazole or 3-aminoindazole scaffold.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P08581 and P35968
DOI: 10.7270/q2wh2rg0
title: BindingDB Entry 50043894: Discovery of selective small molecule type III phosphatidylinositol 4-kinase alpha (PI4KIIIa) inhibitors as anti hepatitis C (HCV) agents.

description: Small molecule binding data for protein PI3-kinase subunit gamma and PI4KA/PI4KAP2, Uniprot P48736
DOI: 10.7270/q2ww7k7g
title: BindingDB Entry 50044399: Sulfonamide inhibition studies of twoß-carbonic anhydrases from the bacterial pathogen Legionella pneumophila.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2x3502t
title: BindingDB Entry 50044935: Aurones as histone deacetylase inhibitors: identification of key features.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2zg6tp9
title: BindingDB Entry 50043282: Identification of GNE-293, a potent and selective PI3Kd inhibitor: navigating in vitro genotoxicity while improving potency and selectivity.

description: Small molecule binding data for protein PI3-kinase subunit alpha and PI3-kinase subunit delta, Uniprot O00329 and P42336
DOI: 10.7270/q20866sf
title: BindingDB Entry 50043901: Synthesis, structure-activity relationship of iodinated-4-aryloxymethyl-coumarins as potential anti-cancer and anti-mycobacterial agents.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q20p11kx
title: BindingDB Entry 50044406: Synthesis and structure-activity relationship studies of conformationally flexible tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues ass2 receptor ligands.

description: Small molecule binding data for protein Sigma and Sigma-1 receptor, Uniprot O55242, Q60492, and Q99720
DOI: 10.7270/q20v8fck
title: BindingDB Entry 50044942: 4-Functionalized 1,3-diarylpyrazoles bearing 6-aminosulfonylbenzothiazole moiety as potent inhibitors of carbonic anhydrase isoforms hCA I, II, IX and XII.

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/q21n82gm
title: BindingDB Entry 50042817: Use of core modification in the discovery of CC214-2, an orally available, selective inhibitor of mTOR kinase.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, PI3-kinase subunit alpha, and Serine/threonine-protein kinase mTOR, Uniprot P07333, P42336, and P42345
DOI: 10.7270/q2280915
title: BindingDB Entry 50043289: Synthesis and SAR of 4-aminocyclopentapyrrolidines as orally active N-type calcium channel inhibitors for inflammatory and neuropathic pain.

description: Small molecule binding data for protein Calcium channel (Type N), Uniprot Q02294
DOI: 10.7270/q23b61s0
title: BindingDB Entry 50045400: A selective small molecule NOP (ORL-1 receptor) partial agonist for the treatment of anxiety.

description: Small molecule binding data for protein Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41145, and P41146
DOI: 10.7270/q23x885f
title: BindingDB Entry 50043900: Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q24b32vg
title: BindingDB Entry 50044405: Identification of a neuroprotective and selective butyrylcholinesterase inhibitor derived from the natural alkaloid evodiamine.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q24m964r
title: BindingDB Entry 50044941: Targeting (cellular) lysosomal acid ceramidase by B13: design, synthesis and evaluation of novel DMG-B13 ester prodrugs.

description: Small molecule binding data for protein Acid ceramidase (AC), Uniprot Q13510
DOI: 10.7270/q26111rg
title: BindingDB Entry 50043288: Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, P35610, and Q96PD7
DOI: 10.7270/q2736sk7
title: BindingDB Entry 50045399: Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Nicotinamide phosphoribosyltransferase, Uniprot P05177, P08684, P10635, P11712, P33261, and P43490
DOI: 10.7270/q2833tjc
title: BindingDB Entry 50044404: Structure-activity relationships and molecular modelling of new 5-arylidene-4-thiazolidinone derivatives as aldose reductase inhibitors and potential anti-inflammatory agents.

description: Small molecule binding data for protein Aldose reductase (ALR2), Uniprot P16116