cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2k075q1
title: BindingDB Entry 50043525: Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q2k938vn
title: BindingDB Entry 50042480: Discovery of novela1-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 1B, ADRA1B, Alpha-1D adrenergic receptor, Cerebral cortex alpha adrenergic receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P18130, P18841, P23944, P28222, P28223, and P50406
DOI: 10.7270/q2np25hz
title: BindingDB Entry 50040233: Synthesis and biological evaluation of crown ether fused quinazoline analogues as potent EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2nv9kh9
title: BindingDB Entry 50041949: Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Pregnane X receptor (PXR), Uniprot O75469, P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2pk0hct
title: BindingDB Entry 50041210: Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2pr7xf2
title: BindingDB Entry 50043524: Synthesis of amino-hydroxy-benzocycloheptenones as potent, selective, non-peptidic dinuclear zinc metalloaminopeptidase inhibitors.

description: Small molecule binding data for protein Aminopeptidase N and Bacterial leucyl aminopeptidase, Uniprot P15145 and Q01693
DOI: 10.7270/q2sf2x8r
title: BindingDB Entry 50040232: Isomannide derivatives as new class of inhibitors for human kallikrein 7.

description: Small molecule binding data for protein Kallikrein 5 and Kallikrein 7, Uniprot P49862
DOI: 10.7270/q2th8p5s
title: BindingDB Entry 50043523: Synthesis and pharmacological evaluation of novel N-aryl-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxamides as TRPM8 antagonists.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Transient receptor potential cation channel subfamily M member 8 (TRPM8), and Transient receptor potential cation channel subfamily V member 1, Uniprot Q7Z2W7, Q8NER1, and Q8R455
DOI: 10.7270/q20z74ch
title: BindingDB Entry 50040238: Synthesis and SAR studies of mono O-prenylated coumarins as potent 15-lipoxygenase inhibitors.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Uniprot P16050
DOI: 10.7270/q2154jb8
title: BindingDB Entry 50041954: Aminomethyltetrazoles as potential inhibitors of the¿-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation.

description: Small molecule binding data for protein Betaine transporter, GABA transporter, GABA transporter 1, and GABA transporter 3, Uniprot P30531, P31646, P31648, P31649, P31650, P48065, and P48066
DOI: 10.7270/q21v5g5g
title: BindingDB Entry 50041215: Design, synthesis, and biological activity of methoctramine-related tetraamines bearing an 11-acetyl-5,11-dihydro-6H-pyrido[2,3-b][1,4] benzodiazepin-6-one moiety: structural requirements for optimum occupancy of muscarinic receptor subtypes as revealed by symmetrical and unsymmetrical polyamines.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2 and Muscarinic acetylcholine receptor M3, Uniprot P08172
DOI: 10.7270/q2222w7k
title: BindingDB Entry 50043529: Arylamino methylene bisphosphonate derivatives as bone seeking matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein Matrix metalloproteinase-14 (MMP14), Uniprot P50281
DOI: 10.7270/q22b90bk
title: BindingDB Entry 50042484: Identification of a novel arylpiperazine scaffold for fatty acid amide hydrolase inhibition with improved drug disposition properties.

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and O08914
DOI: 10.7270/q23779t3
title: BindingDB Entry 50040725: Rational design of conformationally constrained cyclopentapeptide antagonists for C-x-C chemokine receptor 4 (CXCR4).

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q24q7w2d
title: BindingDB Entry 50040237: Synthesis and biological evaluation of 2-benzylamino-4(5)-(6-methylpyridin-2-yl)-5(4)-([1,2,4]triazolo[1,5-a]-pyridin-6-yl)thiazoles as transforming growth factor-ß type 1 receptor kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type I, Uniprot P36897 and Q16539
DOI: 10.7270/q25m66x7
title: BindingDB Entry 50041214: Molecular modeling studies of some choline acetyltransferase inhibitors.

description: Small molecule binding data for protein Choline acetylase, Uniprot P28329
DOI: 10.7270/q25t3mx4
title: BindingDB Entry 50043528: Synthesis and structure-activity relationship of 2-phenyliminochromene derivatives as inhibitors for aldo-keto reductase (AKR) 1B10.

description: Small molecule binding data for protein Aldo-keto reductase family member 1B10 (AKR1B10) and Aldose reductase (AR), Uniprot O60218 and P15121
DOI: 10.7270/q2639r2x
title: BindingDB Entry 50042483: Synthesis and SAR of aminothiazole fused benzazepines as selective dopamine D2 partial agonists.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Voltage-gated potassium channel, Uniprot P14416 and Q12809
DOI: 10.7270/q28c9xbz
title: BindingDB Entry 50040236: Molecular modeling, synthesis and screening of some new 4-thiazolidinone derivatives with promising selective COX-2 inhibitory activity.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q29888dw
title: BindingDB Entry 50042993: TBA

description: Small molecule binding data for protein CFTR, Uniprot P13569
DOI: 10.7270/q2gh9k3x
title: BindingDB Entry 50040722: Phthalazine derivatives containing imidazole rings behave as Fe-SOD inhibitors and show remarkable anti-T. cruzi activity in immunodeficient-mouse mode of infection.

description: Small molecule binding data for protein Superoxide dismutase, Uniprot P00441
DOI: 10.7270/q2h41sph
title: BindingDB Entry 50041958: The discovery of AZD9164, a novel muscarinic M3 antagonist.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor and Muscarinic acetylcholine receptor M2, Uniprot P08172 and P20309
DOI: 10.7270/q2hx1dwk
title: BindingDB Entry 50041219: Pyridobenzoxazepine and pyridobenzothiazepine derivatives as potential central nervous system agents: synthesis and neurochemical study.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q2j104mn
title: BindingDB Entry 50043533: Dimeric argininamide-type neuropeptide Y receptor antagonists: chiral discrimination between Y1 and Y4 receptors.

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/q2jd4z35
title: BindingDB Entry 50042488: Near native binding of a fluorescent serotonin conjugate to serotonin type 3 receptors.

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2js9rts
title: BindingDB Entry 50042991: TBA

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2m909ts
title: BindingDB Entry 50040721: Fumaroylamino-4,5-epoxymorphinans and related opioids with irreversibleµ opioid receptor antagonist effects.

description: Small molecule binding data for protein mu/kappa opioid receptor, Uniprot P41144 and P97266
DOI: 10.7270/q2mw2jdx
title: BindingDB Entry 50041957: Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies.

description: Small molecule binding data for protein Histamine receptor (H3) and Histamine receptor (H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q2np25m9
title: BindingDB Entry 50041218: Synthesis, in vitro biological stability, and anti-HIV activity of 5-halo-6-alkoxy(or azido)-5,6-dihydro-3'-azido-3'-deoxythymidine diastereomers as potential prodrugs to 3'-azido-3'-deoxythymidine (AZT).

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2p270gf
title: BindingDB Entry 50042487: Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2pg1t39
title: BindingDB Entry 50042990: TBA

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, and P11712
DOI: 10.7270/q2r212h2
title: BindingDB Entry 50040720: Influence of chlorine or fluorine substitution on the estrogenic properties of 1-alkyl-2,3,5-tris(4-hydroxyphenyl)-1H-pyrroles.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2rf5w4c
title: BindingDB Entry 50040240: Synthesis and biological evaluation of new 5-benzylated 4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indoles as PI3Ka inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, and p110α/p85α, Uniprot P27986, P42336, Q00535, Q15078, and Q63470
DOI: 10.7270/q2rn394n
title: BindingDB Entry 50041956: Discovery of a novel series of nonacidic benzofuran EP1 receptor antagonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor and Prostaglandin E2 receptor EP1 subtype (EP1), Uniprot P34995 and P43115
DOI: 10.7270/q2sb46zr
title: BindingDB Entry 50041217: Three-dimensional molecular shape analysis-quantitative structure-activity relationship of a series of cholecystokinin-A receptor antagonists.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551
DOI: 10.7270/q2sj1n3v
title: BindingDB Entry 50043531: Identification of novel PARP-1 inhibitors by structure-based virtual screening.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2st7r51
title: BindingDB Entry 50042486: Synthesis and structure-activity relationships of 2-hydrazinyladenosine derivatives as A(2A) adenosine receptor ligands.

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/q2t72js5
title: BindingDB Entry 50042989: TBA

description: Small molecule binding data for protein Isocitrate Dehydrogenase (IDH1), Uniprot O75874
DOI: 10.7270/q2vq33tr
title: BindingDB Entry 50040719: Combining galantamine and memantine in multitargeted, new chemical entities potentially useful in Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot P37136 and Q00960
DOI: 10.7270/q2w66mw4
title: BindingDB Entry 50040239: Novel pyrimidopyrimidine derivatives for inhibition of cellular proliferation and motility induced by h-prune in breast cancer.

description: Small molecule binding data for protein Protein prune homolog, Uniprot Q86TP1
DOI: 10.7270/q2wd41vz
title: BindingDB Entry 50041955: Discovery of pyrazoles as novel FPR1 antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and fMet-Leu-Phe receptor 1/2, Uniprot P05177, P08684, P10635, P11712, P21462, and P33261
DOI: 10.7270/q2x34znn
title: BindingDB Entry 50041216: Influence of lipophilicity on the biological activity of cyclic pseudopeptide NK-2 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 2 receptor and TACR2, Uniprot P51144 and P79218
DOI: 10.7270/q2x92csq
title: BindingDB Entry 50043530: Discovery of VU0409106: A negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q2xk8gvw
title: BindingDB Entry 50042485: Sulfocoumarins (1,2-benzoxathiine-2,2-dioxides): a class of potent and isoform-selective inhibitors of tumor-associated carbonic anhydrases.

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/q2z039hw
title: BindingDB Entry 50042988: TBA

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1, AMPK alpha2/beta1/gamma1, and AMPK subunit alpha-2, Uniprot P54619, P54646, Q13131, and Q9Y478
DOI: 10.7270/q200036j
title: BindingDB Entry 50040246: Structure-activity studies on the spiroketal moiety of a simplified analogue of debromoaplysiatoxin with antiproliferative activity.

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, epsilon, Protein kinase C, eta, and Protein kinase C, gamma, Uniprot P05129, P05771, P17252, P24723, Q02156, Q04759, and Q05655
DOI: 10.7270/q2057h6w
title: BindingDB Entry 50041962: Structure-activity relationship studies of sulfonylpiperazine analogues as novel negative allosteric modulators of human neuronal nicotinic receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q20v8dzs
title: BindingDB Entry 50041223: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1D, Serotonin (5-HT) receptor, Serotonin 1d (5-HT1d) receptor, Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, and Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor, Uniprot A5X5Y0, O95264, P08908, P14842, P28221, P28223, P28335, P35563, P46098, P79400, Q70Z44, Q8WXA8, and Q9JJ16
DOI: 10.7270/q2125v4n
title: BindingDB Entry 50043537: Serendipity in drug-discovery: a new series of 2-(benzyloxy)benzamides as TRPM8 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 8 (TRPM8), Uniprot Q7Z2W7
DOI: 10.7270/q21r6rwj
title: BindingDB Entry 50042995: TBA

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q23r0tzm
title: BindingDB Entry 50040245: Antimetastatic effect of sulfamate carbonic anhydrase IX inhibitors in breast carcinoma xenografts.

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/q23x87xw
title: BindingDB Entry 50041961: Dibasic biphenyl H3 receptor antagonists: Steric tolerance for a lipophilic side chain.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q24m95qz
title: BindingDB Entry 50041222: Effects of a D-Cys6/L-Cys6 interchange in nonselective and selective vasopressin and oxytocin antagonists.

description: Small molecule binding data for protein AVPR1A, Oxytocin receptor, and Vasopressin V2 Receptor, Uniprot P30560, P70536, and Q00788
DOI: 10.7270/q24t6kt6
title: BindingDB Entry 50043536: Discovery of a potent, selective, and orally bioavailable histamine H3 receptor antagonist SAR110068 for the treatment of sleep-wake disorders.

description: Small molecule binding data for protein Histamine receptor H3, Uniprot Q865E1
DOI: 10.7270/q2542pw7
title: BindingDB Entry 50042491: Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-¿.

description: Small molecule binding data for protein Angiotensin II receptor, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P30556, P37231, Q03181, and Q07869
DOI: 10.7270/q25h7hnq
title: BindingDB Entry 50042994: TBA

description: Small molecule binding data for protein Sialidase 1, Sialidase 2, Sialidase 3, and Sialidase 4, Uniprot Q8WWR8, Q99519, Q9UQ49, and Q9Y3R4
DOI: 10.7270/q27082jt
title: BindingDB Entry 50040724: Discovery and pharmacological profile of new 1H-indazole-3-carboxamide and 2H-pyrrolo[3,4-c]quinoline derivatives as selective serotonin 4 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 4 (5-HT4), and Voltage-gated potassium channel, Uniprot P28223, Q12809, and Q13639
DOI: 10.7270/q27p90nm
title: BindingDB Entry 50041960: Lead optimisation of pyrazoles as novel FPR1 antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Solute carrier organic anion transporter family member 1B1 (OATP1B1), and fMet-Leu-Phe receptor 1/2, Uniprot P05177, P08684, P10635, P11712, P21462, P33261, and Q9Y6L6
DOI: 10.7270/q28c9xf9
title: BindingDB Entry 50041221: CCK-A receptor selective antagonists derived from the CCK-A receptor selective tetrapeptide agonist Boc-Trp-Lys(Tac)-Asp-MePhe-NH2 (A-71623).

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P32238, P32239, and Q63931
DOI: 10.7270/q28k7bhg
title: BindingDB Entry 50043535: Discovery of a novel sub-class of ROMK channel inhibitors typified by 5-(2-(4-(2-(4-(1H-Tetrazol-1-yl)phenyl)acetyl)piperazin-1-yl)ethyl)isobenzofuran-1(3H)-one.

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, ATP-sensitive inward rectifier potassium channel 10, Inward rectifier potassium channel 13, Inward rectifier potassium channel 2, Inward rectifier potassium channel 4, and Renal Outer Medullary Potassium (ROMK), Uniprot O60928, P35560, P48048, P48050, P63252, and P78508
DOI: 10.7270/q28w3fmn
title: BindingDB Entry 50042490: Lead optimization of isocytosine-derived xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2br8t99
title: BindingDB Entry 50040723: Discovery of selective and potent inhibitors of gram-positive bacterial thymidylate kinase (TMK).

description: Small molecule binding data for protein Thymidylate kinase, Uniprot P23919
DOI: 10.7270/q2c53mzw
title: BindingDB Entry 50040243: Discovery of highly potent human deoxyuridine triphosphatase inhibitors based on the conformation restriction strategy.

description: Small molecule binding data for protein Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase), Uniprot P33316
DOI: 10.7270/q2cc11z5
title: BindingDB Entry 50041959: 3D-Quantitative structure-activity relationship and docking studies of the tachykinin NK3 receptor.

description: Small molecule binding data for protein Neurokinin 3 receptor, Uniprot P29371
DOI: 10.7270/q2d50p5k
title: BindingDB Entry 50041220: Benzophenone- and indolecarboxylic acids: potent type-2 specific inhibitors of human steroid 5 alpha-reductase.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1) and Steroid 5-alpha-reductase, Uniprot P18405 and P31213
DOI: 10.7270/q2d79cwc
title: BindingDB Entry 50043534: Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate.

description: Small molecule binding data for protein Neurokinin 1 receptor, Platelet activating factor receptor, and Sigma, Uniprot P14600, P25103, P25105, and Q99720
DOI: 10.7270/q2dn46ct
title: BindingDB Entry 50042489: Design and synthesis of tricyclic cores for kinase inhibition.

description: Small molecule binding data for protein JAK2/TYK2, Protein kinase C alpha type, Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O14965, O60674, P17252, P23458, P29597, P35968, and P36888
DOI: 10.7270/q2f1914m
title: BindingDB Entry 50042992: TBA

description: Small molecule binding data for protein Free fatty acid receptor 1 and Free fatty acid receptor 4, Uniprot O14842, Q5NUL3, Q76JU9, and Q8K3T4
DOI: 10.7270/q2fj2hx7
title: BindingDB Entry 50040730: Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor.

description: Small molecule binding data for protein Macrophage migration inhibitory factor (MIF), Uniprot P14174
DOI: 10.7270/q2gx4cnv
title: BindingDB Entry 50040242: Synthesis and biological evaluation of imidazo[4,5-b]pyridine and 4-heteroaryl-pyrimidine derivatives as anti-cancer agents.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 7 (CDK7), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P06493, P14635, P50613, P50750, and P51946
DOI: 10.7270/q2mp54ck
title: BindingDB Entry 50040241: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot P06276, P22303, and P81908
DOI: 10.7270/q2ns0wc4
title: BindingDB Entry 50043532: Synthesis of sterically encumbered 11ß-aminoprogesterone derivatives and evaluation as 11ß-hydroxysteroid dehydrogenase inhibitors and mineralocorticoid receptor antagonists.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase 2, and Mineralocorticoid receptor (MR), Uniprot P08235, P28845, and P80365