cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m045v0
title: BindingDB Entry 50034125: Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17ß-hydroxysteroid dehydrogenase type 2 (17ß-HSD2) inhibitors.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q2ms3sxw
title: BindingDB Entry 50031483: Sigma-1 ligands: Tic-hydantoin as a key pharmacophore.

description: Small molecule binding data for protein Sigma and Sigma-1 receptor, Uniprot Q60492 and Q99720
DOI: 10.7270/q2n29x8c
title: BindingDB Entry 50033270: The discovery of high affinity agonists of GPR109a with reduced serum shift and improved ADME properties.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q2ns0v4k
title: BindingDB Entry 50032444: Discovery of 2-aminoimidazopyridine adenosine A(2A) receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a) and Adenosine receptor A2a, Uniprot P29274 and P30543
DOI: 10.7270/q2pr7w7z
title: BindingDB Entry 50032436: Synthesis of novel 3-amino and 29-hydroxamic acid derivatives of glycyrrhetinic acid as selective 11ß-hydroxysteroid dehydrogenase 2 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845 and P80365
DOI: 10.7270/q2qj7hfb
title: BindingDB Entry 50031493: Biological and biophysical properties of the histone deacetylase inhibitor suberoylanilide hydroxamic acid are affected by the presence of short alkyl groups on the phenyl ring.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 3/NCoR1, Uniprot O15379 and Q13547
DOI: 10.7270/q2qn66t6
title: BindingDB Entry 50030512: Design, synthesis, and pharmacological activities of dynorphin A analogues cyclized by ring-closing metathesis.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptor, Uniprot P32300, P33535, and P34975
DOI: 10.7270/q2qr4xh4
title: BindingDB Entry 50034124: Tricyclic series of heat shock protein 90 (Hsp90) inhibitors part I: discovery of tricyclic imidazo[4,5-c]pyridines as potent inhibitors of the Hsp90 molecular chaperone.

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1, Uniprot P08238
DOI: 10.7270/q2sj1kvw
title: BindingDB Entry 50032443: Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.

description: Small molecule binding data for protein 12-Lipoxygenase (12-LOX), 15-Lipoxygenase-2 (15-LOX-2), 5-lipoxygenase/FLAP, and Arachidonate 15-lipoxygenase, Uniprot O15296, P09917, P16050, and P18054
DOI: 10.7270/q2st7q45
title: BindingDB Entry 50033258: Identification of 3H-naphtho[1,2,3-de]quinoline-2,7-diones as inhibitors of apoptosis signal-regulating kinase 1 (ASK1).

description: Small molecule binding data for protein Apoptosis Signal-regulating Kinase 1 (ASK1), Uniprot Q99683
DOI: 10.7270/q2v9887z
title: BindingDB Entry 50031492: Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids.

description: Small molecule binding data for protein Rhodesain
DOI: 10.7270/q2vd6zh3
title: BindingDB Entry 50030511: Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747).

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P10635, P35372, P41143, P41145, and Q12809
DOI: 10.7270/q2vh5p7v
title: BindingDB Entry 50034123: Identification of a potent and selectives¿? receptor agonist potentiating NGF-induced neurite outgrowth in PC12 cells.

description: Small molecule binding data for protein Sigma-1 receptor and mu/kappa opioid receptor, Uniprot P41144, P97266, and Q60492
DOI: 10.7270/q2wm1dqn
title: BindingDB Entry 50033268: Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Uniprot P53779
DOI: 10.7270/q2x92bj5
title: BindingDB Entry 50032442: Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase 2, 3-beta-hydroxysteroid dehydrogenase/delta 5--&gt;4-isomerase type II, Bile acid receptor FXR, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Estradiol 17-beta-dehydrogenase 2, and Glucocorticoid receptor, Uniprot P04150, P08684, P10635, P11712, P26439, P28845, P37059, P80365, and Q96RI1
DOI: 10.7270/q2z89cnj
title: BindingDB Entry 50032434: Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q20c4w2k
title: BindingDB Entry 50033275: Enediol mimics as inhibitors of the D-arabinose 5-phosphate isomerase (KdsD) from Francisella tularensis.

description: Small molecule binding data for protein 6-phosphogluconate dehydrogenase, decarboxylating, 6-phosphogluconate dehydrogenase, decarboxylating, putative, Arabinose phosphate isomerase, Glucose-6-phosphate isomerase, Ribose-5-phosphate isomerase B, and Triosephosphate isomerase (TIM), Uniprot P00349, P60174, P9WKD7, Q5NGP7, and Q9N1E2
DOI: 10.7270/q2125sx4
title: BindingDB Entry 50032450: Assessment of structurally diverse philanthotoxin analogues for inhibitory activity on ionotropic glutamate receptor subtypes: discovery of nanomolar, nonselective, and use-dependent antagonists.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 and Metabotropic glutamate receptor 1, Uniprot Q05586, Q12879, and Q13255
DOI: 10.7270/q2222v58
title: BindingDB Entry 50034137: Design, synthesis, and biological evaluation of 3,4-dihydroquinolin-2(1H)-one and 1,2,3,4-tetrahydroquinoline-based selective human neuronal nitric oxide synthase (nNOS) inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Nitric oxide synthase, brain, Nitric oxide synthase, inducible, Nitric-oxide synthase (endothelial and brain), and Nitric-oxide synthase, brain, Uniprot P05177, P08684, P10635, P11712, P29475, P29476, P33261, and P35228
DOI: 10.7270/q22v2g7j
title: BindingDB Entry 50031498: Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.

description: Small molecule binding data for protein Cathepsin S, Uniprot P25774
DOI: 10.7270/q22z15md
title: BindingDB Entry 50030519: 5-Benzylidene-hydantoins: synthesis and antiproliferative activity on A549 lung cancer cell line.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2319w93
title: BindingDB Entry 50034129: Discovery of highly potent small molecule Hepatitis C Virus entry inhibitors.

description: Small molecule binding data for protein Scavenger receptor class B member 1, Uniprot Q8WTV0
DOI: 10.7270/q2445msw
title: BindingDB Entry 50033274: Multitargeted drugs discovery: balancing anti-amyloid and anticholinesterase capacity in a single chemical entity.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q24t6jm3
title: BindingDB Entry 50032449: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding.

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, Aurora kinase B/Inner centromere protein, CDK2/Cyclin A/Cyclin A1, CDK2/Cyclin E/G1/S-specific cyclin E2, Cell division cycle 7-related protein kinase, Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3, Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Dual specificity protein kinase TTK, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, IKK epsilon/TBK1, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, MAP kinase p38 beta, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Neurotrophic tyrosine kinase receptor, PKC alpha and beta-2, Pancreatic endoplasmic reticulum kinase (PERK), Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase EEF2K, Serine/threonine-protein kinase MST4, Serine/threonine-protein kinase NEK6, Serine/threonine-protein kinase NIM1, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase TAO1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BRK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor FLT3, and cAMP-dependent protein kinase (PKA), Uniprot O00311, O00418, O14757, O14920, O14965, O60563, O60674, O95067, O96013, O96020, P00519, P04629, P05771, P06213, P06239, P06493, P07949, P08069, P08581, P10721, P11309, P11362, P11802, P14635, P17612, P20248, P24385, P24864, P24941, P28482, P31749, P33981, P35916, P36888, P43403, P43405, P49137, P49841, P50750, P52333, P53350, P78396, Q00535, Q05397, Q13882, Q14164, Q15078, Q15118, Q15759, Q16539, Q7L7X3, Q8IY84, Q8WWL7, Q96GD4, Q9HC98, Q9NZJ5, Q9P289, and Q9UM73
DOI: 10.7270/q26h4hk0
title: BindingDB Entry 50031497: Potent arylsulfonamide inhibitors of tumor necrosis factor-alpha converting enzyme able to reduce activated leukocyte cell adhesion molecule shedding in cancer cell models.

description: Small molecule binding data for protein ADAM17, Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Matrix metalloproteinase-1 (MMP1), and Matrix metalloproteinase-14 (MMP14), Uniprot O14672, P03956, P08253, P14780, P50281, and P78536
DOI: 10.7270/q26q1xbr
title: BindingDB Entry 50030518: Synthesis of 1,1-[1-naphthyloxy-2-thiophenyl]-2-methylaminomethylcyclopropanes and their evaluation as inhibitors of serotonin, norepinephrine, and dopamine transporters.

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/q26t0n2h
title: BindingDB Entry 50034128: Melanin-concentrating hormone receptor 1 antagonists: synthesis, structure-activity relationship, docking studies, and biological evaluation of 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives.

description: Small molecule binding data for protein GPR24 and Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q27w6ch9
title: BindingDB Entry 50033273: (+)-Arisugacin A--computational evidence of a dual binding site covalent inhibitor of acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q28g8kx3
title: BindingDB Entry 50032448: Design, synthesis, radiolabeling, and in vivo evaluation of carbon-11 labeled N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a potential positron emission tomography tracer for the dopamine D(4) receptors.

description: Small molecule binding data for protein Dopamine receptor, Uniprot P30729
DOI: 10.7270/q298875b
title: BindingDB Entry 50031506: Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 7 and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170 and Q96CA5
DOI: 10.7270/q29k4bnf
title: BindingDB Entry 50034135: Identification of a naturally occurring quinazolin-4(3H)-one firefly luciferase inhibitor.

description: Small molecule binding data for protein Luciferase, Uniprot Q01158
DOI: 10.7270/q2bp0336
title: BindingDB Entry 50033280: Discovery and evaluation of pyrazolo[1,5-a]pyrimidines as neuropeptide Y1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, NPY1R, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, and Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot P21555, P25929, P34998, P49146, and Q15761
DOI: 10.7270/q2cn7471
title: BindingDB Entry 50033272: Acylideneoxoindoles: a new class of reversible inhibitors of human transglutaminase 2.

description: Small molecule binding data for protein Protein-glutamine gamma-glutamyltransferase 2 (TG2), Uniprot P21980 and Q9H035
DOI: 10.7270/q2d79bmc
title: BindingDB Entry 50032447: Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P48999
DOI: 10.7270/q2fb53c5
title: BindingDB Entry 50034134: Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors: discovery and structure-activity relationships of a series of quinoline and quinoxaline derivatives.

description: Small molecule binding data for protein DNA-dependent protein kinase, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, P48736, P78527, and Q8NEB9
DOI: 10.7270/q2gf0tt4
title: BindingDB Entry 50033279: Aromatic ring functionalization of benzolactam derivatives: new potent dopamine D3 receptor ligands.

description: Small molecule binding data for protein 5-HT2, Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, P50129, and P50130
DOI: 10.7270/q2hd7vzz
title: BindingDB Entry 50033271: Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: design, synthesis, and evaluation of PF-3246799 as a treatment for urinary incontinence.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 2A, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, HTR2C, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2 and M4, Serotonin 3 (5-HT3) receptor, Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot O46635, P05177, P08173, P08684, P08912, P10635, P11229, P11712, P20309, P28223, P28335, P33261, P41595, P46098, P50406, Q12809, and Q60F97
DOI: 10.7270/q2j103c3
title: BindingDB Entry 50032446: Discovery of a potent and selective Bcl-2 inhibitor using SAR by NMR.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl-xL/BAK, Uniprot P10415 and Q07817
DOI: 10.7270/q2k35v22
title: BindingDB Entry 50034133: Discovery of new orally active prostaglandin D2 receptor antagonists.

description: Small molecule binding data for protein Prostanoid DP receptor and Prostanoid IP receptor, Uniprot P43119, P70263, and Q13258
DOI: 10.7270/q2ks6rp5
title: BindingDB Entry 50031494: Small molecule JNK (c-Jun N-terminal kinase) inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, and c-Jun N-terminal kinase, JNK, Uniprot P45983, P45984, P53779, and Q16539
DOI: 10.7270/q2pk0g82
title: BindingDB Entry 50031502: Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Fibroblast growth factor receptor 1, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), MAP kinase ERK2, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 2, PI3-kinase subunit alpha, Platelet-derived growth factor receptor, Protein kinase C alpha type, Rho-associated protein kinase, Ribosomal protein S6 kinase alpha 1, SRC, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase ABL1, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O15111, P00519, P06493, P07948, P08581, P08631, P11362, P12931, P16234, P17252, P24941, P28482, P35968, P42336, P42345, P49137, P49840, P49841, Q12851, Q13464, Q15418, Q16539, and Q96GD4
DOI: 10.7270/q2pn95pt
title: BindingDB Entry 50030522: Exploring bis-(indolyl)methane moiety as an alternative and innovative CAP group in the design of histone deacetylase (HDAC) 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/q2pr7wd6
title: BindingDB Entry 50034132: 7-(4H-1,2,4-Triazol-3-yl)benzo[c][2,6]naphthyridines: a novel class of Pim kinase inhibitors with potent cell antiproliferative activity.

description: Small molecule binding data for protein Bcl2-antagonist of cell death (BAD), Serine/threonine-protein kinase PIM, and Tyrosine-protein kinase receptor FLT3, Uniprot P11309, P36888, Q86V86, Q92934, and Q9P1W9
DOI: 10.7270/q2qv3mvj
title: BindingDB Entry 50033277: High concentration electrophysiology-based fragment screen: discovery of novel acid-sensing ion channel 3 (ASIC3) inhibitors.

description: Small molecule binding data for protein Amiloride-sensitive cation channel 3, Calcium channel (Type L), and Voltage-gated potassium channel, Uniprot Q12809, Q13936, and Q9UHC3
DOI: 10.7270/q2rv0p0b
title: BindingDB Entry 50033269: Molecular probes for the A2A adenosine receptor based on a pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine scaffold.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2tb1717
title: BindingDB Entry 50031501: 4-Substituted-7-azaindoles bearing a ureidobenzofuranone moiety as potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q2td9xd5
title: BindingDB Entry 50030521: Expedient solid-phase synthesis of both symmetric and asymmetric diol libraries targeting aspartic proteases.

description: Small molecule binding data for protein Plasmepsin 2 and Plasmepsin I, Uniprot P39898 and P46925
DOI: 10.7270/q2th8n3g
title: BindingDB Entry 50034131: The design, synthesis and biological evaluation of novel URB602 analogues as potential monoacylglycerol lipase inhibitors.

description: Small molecule binding data for protein Monoglyceride Lipase (MGL), Uniprot O35678
DOI: 10.7270/q2vm4ck8
title: BindingDB Entry 50033276: Orally bioavailable imidazoazepanes as calcitonin gene-related peptide (CGRP) receptor antagonists: discovery of MK-2918.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q16602
DOI: 10.7270/q2w959f7
title: BindingDB Entry 50032451: Novel agonists and antagonists for human protease activated receptor 2.

description: Small molecule binding data for protein Proteinase-activated receptor 2, Uniprot P55085
DOI: 10.7270/q2z31zsm
title: BindingDB Entry 50031500: Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists.

description: Small molecule binding data for protein Histamine receptor (H3) and Voltage-gated potassium channel, Uniprot Q12809 and Q9Y5N1
DOI: 10.7270/q2z60p4f
title: BindingDB Entry 50030520: Knowledge based identification of MAO-B selective inhibitors using pharmacophore and structure based virtual screening models.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, Uniprot P27338
DOI: 10.7270/q2z89cts
title: BindingDB Entry 50034130: Design, synthesis, and biological evaluation of callophycin A and analogues as potential chemopreventive and anticancer agents.

description: Small molecule binding data for protein Aromatase (CYP19) and Nitric Oxide Synthase, inducible, Uniprot P11511 and P29477
DOI: 10.7270/q2028rsr
title: BindingDB Entry 50032458: Targeted mutations of Bacillus anthracis dihydrofolate reductase condense complex structure-activity relationships.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR)
DOI: 10.7270/q2125t2b
title: BindingDB Entry 50034145: Highly potent, selective, and orally active phosphodiesterase 10A inhibitors.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Phosphodiesterase 1, Phosphodiesterase 11A (PDE11A), Phosphodiesterase 3 (PDE3), Phosphodiesterase 6, Phosphodiesterase 7, Phosphodiesterase 8, Phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, P11541, P27815, P29274, P30542, Q01064, Q13946, Q14432, Q9HCR9, and Q9Y233
DOI: 10.7270/q21v5f4m
title: BindingDB Entry 50031508: Potent and selective inhibition of human cytochrome P450 3A4 by seco-pancratistatin structural analogs.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2348knh
title: BindingDB Entry 50033282: Probing the isoprenylcysteine carboxyl methyltransferase (Icmt) binding pocket: sulfonamide modified farnesyl cysteine (SMFC) analogs as Icmt inhibitors.

description: Small molecule binding data for protein Isoprenylcysteine carboxyl methyltransferase, Uniprot O60725
DOI: 10.7270/q23t9hgq
title: BindingDB Entry 50032457: Design, solid-phase synthesis, and biological evaluation of novel 1,5-diarylpyrrole-3-carboxamides as carbonic anhydrase IX inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790