cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2q81fpm
title: BindingDB Entry 50044983: Synthesis and biological evaluation of pyridinone analogues as novel potent HIV-1 NNRTIs.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2sn0bcc
title: BindingDB Entry 50043322: Quinazoline-based multi-tyrosine kinase inhibitors: synthesis, modeling, antitumor and antiangiogenic properties.

description: Small molecule binding data for protein Platelet-derived growth factor receptor beta and Tyrosine-protein kinase ABL1, Uniprot P00519 and P09619
DOI: 10.7270/q2tq6335
title: BindingDB Entry 50044448: Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Human immunodeficiency virus type 1 integrase, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q2v126fs
title: BindingDB Entry 50044982: Synthesis of aminoalkyl-substituted aurone derivatives as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q2vt1tfs
title: BindingDB Entry 50042857: Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2xg9ss2
title: BindingDB Entry 50045440: Development of 1,3-diphenyladamantane derivatives as nonsteroidal progesterone receptor antagonists.

description: Small molecule binding data for protein Progesterone receptor, Uniprot P06401
DOI: 10.7270/q2zs2z5t
title: BindingDB Entry 50044981: Inhibition of FAAH, TRPV1, and COX2 by NSAID-serotonin conjugates.

description: Small molecule binding data for protein Cyclooxygenase, Fatty-acid amide hydrolase 1 (FAAH), and Transient receptor potential cation channel subfamily V member 1, Uniprot O00519, P35354, and Q8NER1
DOI: 10.7270/q2125v36
title: BindingDB Entry 50043328: Ligand-protein interactions of selective casein kinase 1d inhibitors.

description: Small molecule binding data for protein Casein kinase I delta/epsilon and Casein kinase I isoform delta, Uniprot P48730 and P49674
DOI: 10.7270/q228094h
title: BindingDB Entry 50044454: Synthesis and SAR of substituted pyrazolo[1,5-a]quinazolines as dual mGlu(2)/mGlu(3) NAMs.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2) and Metabotropic glutamate receptor 3 (mGlu3), Uniprot P31422 and Q14416
DOI: 10.7270/q22j6dhq
title: BindingDB Entry 50044988: Identification of novel 4-anilinoquinazoline derivatives as potent EGFR inhibitors both under normoxia and hypoxia.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q23b61hd
title: BindingDB Entry 50042863: N-substituted azaindoles as potent inhibitors of Cdc7 kinase.

description: Small molecule binding data for protein CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) and Cyclin-dependent kinase 2, Uniprot O00311 and P24941
DOI: 10.7270/q24t6ksr
title: BindingDB Entry 50043327: Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.

description: Small molecule binding data for protein Microtubule-associated serine/threonine-protein kinase 3, Uniprot O60307
DOI: 10.7270/q26111vt
title: BindingDB Entry 50044453: a-Methylated simplified resiniferatoxin (sRTX) thiourea analogues as potent and stereospecific TRPV1 antagonists.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2697560
title: BindingDB Entry 50044987: Inhibition studies of new ureido-substituted sulfonamides incorporating a GABA moiety against human carbonic anhydrase isoforms I-XIV.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 13 (CA XIII), Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q8N1Q1, and Q9ULX7
DOI: 10.7270/q2736s9n
title: BindingDB Entry 50042862: Design, synthesis and biological evaluation of novel imidazo[4,5-c]pyridinecarboxamide derivatives as PARP-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q28c9xqw
title: BindingDB Entry 50043953: De-novo designed library of benzoylureas as inhibitors of BCL-XL: synthesis, structural and biochemical characterization.

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot Q60612
DOI: 10.7270/q28k7bg1
title: BindingDB Entry 50043326: Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators.

description: Small molecule binding data for protein G protein-activated inward rectifier potassium channel 1 and G protein-activated inward rectifier potassium channel 4, Uniprot P48544 and P48549
DOI: 10.7270/q28s4rmq
title: BindingDB Entry 50045445: Target engagement in lead generation.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, and cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot P19327, Q06187, Q08881, and Q9Y233
DOI: 10.7270/q29z96hp
title: BindingDB Entry 50044986: Design, synthesis, anticancer activity and docking studies of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as mTOR inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q2d50pf5
title: BindingDB Entry 50043952: Design, synthesis, and biological evaluation of deuterated C-aryl glycoside as a potent and long-acting renal sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2dj5h90
title: BindingDB Entry 50045444: Synthesis, biological evaluation and molecular docking study of novel piperidine and piperazine derivatives as multi-targeted agents to treat Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2hx1f5k
title: BindingDB Entry 50043951: Design, synthesis, and characterization ofa-ketoheterocycles that additionally target the cytosolic port Cys269 of fatty acid amide hydrolase.

description: Small molecule binding data for protein Abhydrolase Domain-Containing Protein 6, Anandamide amidohydrolase, Carboxylesterase 1D, KIAA1363, and Monoglyceride Lipase (MGL), Uniprot O08914, O35678, P97612, Q8BLF1, Q8R2Y0, and Q8VCT4
DOI: 10.7270/q2j67jkj
title: BindingDB Entry 50045443: Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase
DOI: 10.7270/q2kd208c
title: BindingDB Entry 50042867: Synthesis of novel cognition enhancers with pyrazolo[5,1-c][1,2,4]benzotriazine core acting at¿-aminobutyric acid type A (GABA(A)) receptor.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2np25xb
title: BindingDB Entry 50043950: Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Enoyl-ACP Reductase (InhA), Uniprot P05177, P10635, P11712, P33261, and P9WGR1
DOI: 10.7270/q2nz898h
title: BindingDB Entry 50045442: Absolute structures and bioactivities of euryspongins and eurydiene obtained from the marine sponge Euryspongia sp. collected at Iriomote Island.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2p270qk
title: BindingDB Entry 50044457: Synthesis, biological, and biophysical studies of DAG-indololactones designed as selective activators of RasGRP.

description: Small molecule binding data for protein Protein kinase C alpha type, Protein kinase C, epsilon, RAS guanyl releasing protein 3, and RAS guanyl-releasing protein 1, Uniprot O95267, P17252, Q02156, and Q8IV61
DOI: 10.7270/q2p84dhs
title: BindingDB Entry 50044991: Recent advances in the discovery of small molecule inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4) as a therapeutic target for inflammation and oncology disorders.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 1, Interleukin-1 receptor-associated kinase 4, and Tyrosine-protein kinase SYK, Uniprot P43405, P51617, and Q9NWZ3
DOI: 10.7270/q2q241mt
title: BindingDB Entry 50042866: Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, and Q16790
DOI: 10.7270/q2sf2xnp
title: BindingDB Entry 50043949: Potent and selective double-headed thiophene-2-carboximidamide inhibitors of neuronal nitric oxide synthase for the treatment of melanoma.

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/q2sq921p
title: BindingDB Entry 50045441: Development of potent dopamine-norepinephrine uptake inhibitors (DNRIs) based on a (2S,4R,5R)-2-benzhydryl-5-((4-methoxybenzyl)amino)tetrahydro-2H-pyran-4-ol molecular template.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2st7rd5
title: BindingDB Entry 50044456: Optimization of diaryl amine derivatives as kinesin spindle protein inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2t1558z
title: BindingDB Entry 50044990: Discovery of 2-(cyclohexylmethylamino)pyrimidines as a new class of reversible valosine containing protein inhibitors.

description: Small molecule binding data for protein Valosin containing protein, p97 subunit, Uniprot P55072
DOI: 10.7270/q2tt4s9d
title: BindingDB Entry 50042865: Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors.

description: Small molecule binding data for protein Apoptosis Signal-regulating Kinase 1 (ASK1), Aurora kinase B/Inner centromere protein, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 5, Dual specificity protein kinase TTK, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Insulin-like growth factor I receptor, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase kinase kinase 1, Nuclear receptor subfamily 2 group C member 2, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Protein kinase C theta type, RAF serine/threonine protein kinase, Receptor tyrosine-protein kinase erbB-4 (HER4), SRC, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase BMX, Tyrosine-protein kinase CSK, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase ZAP-70, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and c-Jun N-terminal kinase, JNK, Uniprot L7RSL3, O14920, P00533, P04626, P06213, P06239, P07948, P08069, P08581, P09619, P10721, P11362, P15056, P16234, P17948, P22607, P27361, P33981, P35968, P41240, P43403, P45983, P49116, P49841, P51813, P53350, Q02750, Q02763, Q04759, Q13163, Q13233, Q15303, Q16539, Q96GD4, and Q99683
DOI: 10.7270/q2wd4205
title: BindingDB Entry 50043329: Identification of quinazolinyloxy biaryl urea as a new class of SUMO activating enzyme 1 inhibitors.

description: Small molecule binding data for protein SUMO-activating enzyme and SUMO-activating enzyme subunit 2 (SAE2), Uniprot Q9UBE0 and Q9UBT2
DOI: 10.7270/q2x34zzp
title: BindingDB Entry 50043948: Structure-based optimization of tyrosine kinase inhibitor CLM3. Design, synthesis, functional evaluation, and molecular modeling studies.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Uniprot P07949
DOI: 10.7270/q2xg9spq
title: BindingDB Entry 50044455: Design and discovery of flavonoid-based HIV-1 integrase inhibitors targeting both the active site and the interaction with LEDGF/p75.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2xs5x1f
title: BindingDB Entry 50044989: Synthesis, in vitro evaluation and cocrystal structure of 4-oxo-[1]benzopyrano[4,3-c]pyrazole Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase (CpIMPDH) inhibitors.

description: Small molecule binding data for protein Inosine-5-monophosphate dehydrogenase (IMPDH), Uniprot Q8T6T2
DOI: 10.7270/q2zk5j14
title: BindingDB Entry 50042864: Synthesis and biological activity of 4-substituted benzoxazolone derivatives as a new class of sEH inhibitors with high anti-inflammatory activity in vivo.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q20v8f87
title: BindingDB Entry 50043955: Discovery of 6-aryl-azabenzimidaoles that inhibit the TBK1/IKK-e kinases.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 2, and IKK epsilon/TBK1, Uniprot P24941, Q14164, Q96GD4, and Q9UHD2
DOI: 10.7270/q2183821
title: BindingDB Entry 50044462: Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.

description: Small molecule binding data for protein NR2B Channel Blocker and RXR alpha/PPAR gamma, Uniprot P19793 and Q05343
DOI: 10.7270/q218385c
title: BindingDB Entry 50045447: Discovery of biphenyl-based VEGFR-2 inhibitors. Part 3: design, synthesis and 3D-QSAR studies.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q21j9cds
title: BindingDB Entry 50044996: Discovery of 1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalen-4-carboxamides as potent and selective CB2 receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 1 (CB1R), Cannabinoid receptor 2, Cannabinoid receptor 2 (CB2), and Voltage-gated potassium channel, Uniprot P20272, P21554, P34972, P47746, P47936, Q12809, and Q9QZN9
DOI: 10.7270/q22b90c1
title: BindingDB Entry 50042871: Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P07333, P07949, P09619, P15056, P16234, P17948, P35916, and P35968
DOI: 10.7270/q24m960z
title: BindingDB Entry 50043954: Discovery of AMG 232, a potent, selective, and orally bioavailable MDM2-p53 inhibitor in clinical development.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q25140rw
title: BindingDB Entry 50044461: Identification of a new selective dopamine D4 receptor ligand.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Serotonin (5-HT) receptor, Serotonin receptor (2b and 2c), Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Sigma, and Sodium-dependent noradrenaline transporter, Uniprot P08908, P08909, P08913, P14416, P14842, P18825, P21728, P21918, P23975, P30729, P34969, P35348, P35367, P35462, P41595, Q4W594, and Q99720
DOI: 10.7270/q25140wp
title: BindingDB Entry 50045446: Structural development of stapled short helical peptides as vitamin D receptor (VDR)-coactivator interaction inhibitors.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q25b0442
title: BindingDB Entry 50044995: Synthesis and biological activity of 5-(4-methoxyphenyl)-oxazole derivatives.

description: Small molecule binding data for protein D-amino-acid oxidase, D-aspartate oxidase 1, D-aspartate oxidase 2, and D-aspartate oxidase 3, Uniprot O01739, O45307, Q19564, and Q95XG9
DOI: 10.7270/q2639r3c
title: BindingDB Entry 50042870: VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, and Q12809
DOI: 10.7270/q27m09cn
title: BindingDB Entry 50043334: Potential neuroprotective flavonoid-based inhibitors of CDK5/p25 from Rhus parviflora.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Uniprot Q00535 and Q15078
DOI: 10.7270/q2862j67
title: BindingDB Entry 50045956: N-Aryl azacycles as novel sodium channel blockers.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q28s4rgx
title: BindingDB Entry 50044460: Exploration of the dihydropyrimidine scaffold for the development of new potential anti-inflammatory agents blocking prostaglandin E2 synthase-1 enzyme (mPGES-1).

description: Small molecule binding data for protein Prostaglandin E synthase, Uniprot O14684
DOI: 10.7270/q2930vs3
title: BindingDB Entry 50044994: Ligand-based virtual screening identifies a family of selective cannabinoid receptor 2 agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q29w0gvc
title: BindingDB Entry 50042869: Syntheses and biological evaluation of 1-heteroaryl-2-aryl-1H-benzimidazole derivatives as c-Jun N-terminal kinase inhibitors with neuroprotective effects.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10 and Mitogen-activated protein kinase 9, Uniprot P45984 and P53779
DOI: 10.7270/q2cz38x7
title: BindingDB Entry 50045955: 2-Substituted N¿-glutamylanilides as novel probes of ASCT2 with improved potency.

description: Small molecule binding data for protein Neutral amino acid transporter B(0), Uniprot Q15758
DOI: 10.7270/q2dj5h6n
title: BindingDB Entry 50044459: Novel aromatic-polyamine conjugates as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2dr2x4n
title: BindingDB Entry 50044993: Synthesis and biological evaluation of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2fn17k3
title: BindingDB Entry 50042868: Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P04818
DOI: 10.7270/q2gx4d2n
title: BindingDB Entry 50043959: Study of the structural and dynamic effects in the FimH adhesin upona-d-heptyl mannose binding.

description: Small molecule binding data for protein Adhesin protein fimH, Uniprot P08191
DOI: 10.7270/q2h41svr
title: BindingDB Entry 50043332: Screen of pseudopeptidic inhibitors of human sirtuins 1-3: two lead compounds with antiproliferative effects in cancer cells.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent protein deacetylase sirtuin-3 (SIRT3), Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q2h996vg
title: BindingDB Entry 50045451: Computer-aided discovery of aminopyridines as novel JAK2 inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2hq41nz
title: BindingDB Entry 50045954: Spirotetronate polyketides as leads in drug discovery.

description: Small molecule binding data for protein 78 kDa glucose-regulated protein and Cholecystokinin B receptor, Uniprot P11021, P30553, and V9HWB4
DOI: 10.7270/q2j967zd
title: BindingDB Entry 50044458: Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.

description: Small molecule binding data for protein Coagulation factor X, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Matriptase, Plasminogen, Prothrombin, and Urokinase-type plasminogen activator, Uniprot P00734, P00743, P00747, P00749, P08684, P10635, P11712, P33261, and Q9Y5Y6
DOI: 10.7270/q2jh3ns2
title: BindingDB Entry 50044992: Enantioselective induction of SIRT1 gene by syringaresinol from Panax ginseng berry and Acanthopanax senticosus Harms stem.

description: Small molecule binding data for protein Forkhead box protein O3, Uniprot O43524
DOI: 10.7270/q2mw2jk5
title: BindingDB Entry 50043331: Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.

description: Small molecule binding data for protein AKT/p21CIP1, Casein kinase I isoform delta, Hepatocyte growth factor receptor, MAP kinase ERK2, MAP kinase-activated protein kinase 5, Ribosomal protein S6 kinase alpha 1, Ribosomal protein S6 kinase alpha 5, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase D2 (PKD2), and Tyrosine-protein kinase ABL1, Uniprot O14757, O14965, O75582, O96017, P00519, P08581, P28482, P31749, P48730, Q15418, Q8IW41, and Q9BZL6
DOI: 10.7270/q2n0187b
title: BindingDB Entry 50045450: Discovery of phenylpiperazine derivatives as IGF-1R inhibitor with potent antiproliferative properties in vitro.

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069