cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2125tgq
title: BindingDB Entry 50037996: Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q21g0mwv
title: BindingDB Entry 50036236: Synthesis and antitumor activities of novel 6-5 fused ring heterocycle antifolates: N-[4-[omega-(2-amino-4-substituted-6,7-dihydrocyclopenta [d]pyrimidin-5-yl)alkyl]benzoyl]-L-glutamic acids.

description: Small molecule binding data for protein Dihydrofolate reductase and Thymidylate Synthase (TS), Uniprot P00375, P00381, and P00469
DOI: 10.7270/q21g0n69
title: BindingDB Entry 50038903: Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists.

description: Small molecule binding data for protein Cholinergic, Nicotinic Alpha3Beta2, Neuronal acetylcholine receptor, and Serotonin 3 (5-HT3) receptor, Uniprot P09483, P32297, P46098, and Q05941
DOI: 10.7270/q24b32br
title: BindingDB Entry 50039736: Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity.

description: Small molecule binding data for protein G-protein- coupled-like receptor Smoothened (Smo), Uniprot Q99835
DOI: 10.7270/q24f1rg3
title: BindingDB Entry 50037059: Influence of bulky substituents on histamine h(3) receptor agonist/antagonist properties.

description: Small molecule binding data for protein HRH3, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, and Histamine receptor (H3), Uniprot P31389, P47747, Q9JI35, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2571cz2
title: BindingDB Entry 50038902: Discovery of novel dual functional agent as PPARgamma agonist and 11beta-HSD1 inhibitor for the treatment of diabetes.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and Peroxisome proliferator-activated receptor, Uniprot P28845, P37231, and P50172
DOI: 10.7270/q29024fn
title: BindingDB Entry 50036234: 14 alpha,14' beta-[Dithiobis[(2-oxo-2,1-ethanediyl)imino]]bis (7,8-dihydromorphinone) and 14 alpha,14' beta-[dithiobis[(2-oxo-2,1- ethanediyl)imino]]bis[7,8-dihydro-N-(cyclopropylmethyl)normorphinone]: chemistry and opioid binding properties.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu opioid receptor, Uniprot P41143, P41145, and P79350
DOI: 10.7270/q29024rp
title: BindingDB Entry 50038901: Synthesis and evaluation of 5-benzylidene(thio)barbiturate-beta-D-glycosides as mushroom tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2br8t6z
title: BindingDB Entry 50039742: Radiosynthesis and evaluation of an (18)F-labeled positron emission tomography (PET) radioligand for brain histamine subtype-3 receptors based on a nonimidazole 2-aminoethylbenzofuran chemotype.

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 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Beta-3 adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Histamine H2 Receptor, Histamine H3 receptor, Histamine receptor (H3), Histamine receptor (H4), Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sigma, Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P07550, P08172, P08173, P08588, P08908, P08912, P08913, P11229, P13945, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P25100, P28221, P28222, P28223, P28335, P28566, P31645, P34969, P35348, P35367, P35368, P35462, P41595, P46098, P47898, P50406, Q01959, Q4W594, Q99720, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2dr2w47
title: BindingDB Entry 50036233: [L-Ala3]DPDPE: a new enkephalin analog with a unique opioid receptor activity profile. Further evidence of delta-opioid receptor multiplicity.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, and P97266
DOI: 10.7270/q2dr2wgq
title: BindingDB Entry 50038900: Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2gh9jzq
title: BindingDB Entry 50039741: Melanin-concentrating hormone receptor 1 antagonists. Synthesis and structure-activity relationships of novel 3-(aminomethyl)quinolines.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), GPR24, and Melanin-concentrating hormone receptor, Uniprot P28335 and Q99705
DOI: 10.7270/q2h41s9k
title: BindingDB Entry 50038000: 4-acyl-1-(4-aminoalkoxyphenyl)-2-ketopiperazines as a novel class of non-brain-penetrant histamine H3 receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, HRH3, and Histamine H1 receptor, Uniprot P05177, P08684, P10635, P11712, P31389, P33261, and Q9JI35
DOI: 10.7270/q2hh6m1m
title: BindingDB Entry 50038907: A comprehensive study on the 5-hydroxytryptamine(3A) receptor binding of agonists serotonin and m-chlorophenylbiguanidine.

description: Small molecule binding data for protein 5-HT3A Serotonin Receptor, Uniprot P23979
DOI: 10.7270/q2jd4xf7
title: BindingDB Entry 50036232: CCK-A-selective tetrapeptides containing lys(N epsilon)-amide residues: favorable in vivo and in vitro effects of N-methylation at the aspartyl residue.

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P32239 and Q63931
DOI: 10.7270/q2m909p0
title: BindingDB Entry 50039740: Receptor-ligand interaction-based virtual screening for novel Eg5/kinesin spindle protein inhibitors.

description: Small molecule binding data for protein Kinesin heavy chain isoform 5A, Kinesin heavy chain isoform 5C, and Kinesin-like protein 1, Uniprot O60282, P52732, and Q12840
DOI: 10.7270/q2mc90r8
title: BindingDB Entry 50037063: Mazindol analogues as potential inhibitors of the cocaine binding site at the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P23977, P31645, and Q01959
DOI: 10.7270/q2mw2j0j
title: BindingDB Entry 50037999: Small, potent, and selective diaryl phosphonate inhibitors for urokinase-type plasminogen activator with in vivo antimetastatic properties.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasmin, Plasminogen, Prothrombin, Thrombin, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, and Urokinase-type plasminogen activator (uPA), Uniprot P00734, P00742, P00747, P00749, P00750, P06869, P18292, P19221, P20918, P29598, and Q01177
DOI: 10.7270/q2n87bqg
title: BindingDB Entry 50038906: The marine natural-derived inhibitors of glycogen synthase kinase-3beta phenylmethylene hydantoins: In vitro and in vivo activities and pharmacophore modeling.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2p55p4h
title: BindingDB Entry 50036231: N-omega-fluoroalkyl analogs of (1R)-2 beta-carbomethoxy-3 beta-(4-iodophenyl)-tropane (beta-CIT): radiotracers for positron emission tomography and single photon emission computed tomography imaging of dopamine transporters.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2p84ctd
title: BindingDB Entry 50038898: Inhibition of the insulin-like growth factor-1 receptor (IGF1R) tyrosine kinase as a novel cancer therapy approach.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin receptor, Insulin-like growth factor 1 receptor, Insulin-like growth factor I receptor, SRC, Tyrosine-protein kinase Kit (Kit), and Vascular endothelial growth factor receptor 2, Uniprot P00519, P00533, P04626, P06213, P06239, P08069, P10721, P11274, P15208, P35968, Q05397, and Q60751
DOI: 10.7270/q2r212dq
title: BindingDB Entry 50039739: Identification of binding specificity-determining features in protein families.

description: Small molecule binding data for protein PTK2B protein tyrosine kinase 2 beta (PTK2B) and Tyrosine-protein kinase ZAP-70, Uniprot P43403 and Q14289
DOI: 10.7270/q2r49rgm
title: BindingDB Entry 50037062: Pyrimidinylpyrroloquinolones as highly potent and selective PDE5 inhibitors for treatment of erectile dysfunction.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2rj4k9j
title: BindingDB Entry 50037998: Structure-based design, synthesis, and biological evaluation of indomethacin derivatives as cyclooxygenase-2 inhibiting nitric oxide donors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2s183dr
title: BindingDB Entry 50038905: Discovery of highly potent and selective biphenylacylsulfonamide-based beta3-adrenergic receptor agonists and molecular modeling based on the solved X-ray structure of the beta2-adrenergic receptor: part 6.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot O02662, P07550, P08588, and P13945
DOI: 10.7270/q2sx6dvh
title: BindingDB Entry 50036230: Synthesis and characterization of radioiodinated N-(3-iodopropen-1-yl)-2 beta-carbomethoxy-3 beta-(4-chlorophenyl)tropanes: potential dopamine reuptake site imaging agents.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2vt1t4r
title: BindingDB Entry 50039738: Identification and structure-activity relationships of a novel series of estrogen receptor ligands based on 7-thiabicyclo[2.2.1]hept-2-ene-7-oxide.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2vx0h71
title: BindingDB Entry 50037061: Purine and pyrimidine (P2) receptors as drug targets.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 3, P2X purinoceptor 4, P2X purinoceptor 5, P2X purinoceptor 6, P2X purinoceptor 7, P2X purinoceptor 7 (P2X7), P2X2/P2X3 receptor, P2Y purinoceptor 1, Purinergic receptor P2Y1, Purinergic receptor P2Y11, Purinergic receptor P2Y12, Purinergic receptor P2Y2, Purinergic, P2X2, PurinergicP2X2/3, Pyrimidinergic receptor P2Y4, Pyrimidinergic receptor P2Y6, and TNF-beta, Uniprot O15547, O35811, P01374, P41231, P47824, P47900, P49652, P49653, P49654, P51575, P51577, P51578, P51582, P56373, Q15077, Q64663, Q93086, Q96G91, Q99571, Q99572, Q9EPX4, Q9H244, and Q9UBL9
DOI: 10.7270/q2wq04rf
title: BindingDB Entry 50038904: Synthesis and opioid receptor activity of indolopropellanes.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P35372, P41143, and P41145
DOI: 10.7270/q2xp75k7
title: BindingDB Entry 50036229: Structure-activity relationship of N17'-substituted norbinaltorphimine congeners. Role of the N17' basic group in the interaction with a putative address subsite on the kappa opioid receptor.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2028scs
title: BindingDB Entry 50038004: Constrained azacyclic analogues of the immunomodulatory agent FTY720 as molecular probes for sphingosine 1-phosphate receptors.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q20g3krg
title: BindingDB Entry 50036244: Synthesis and delta-opioid receptor antagonist activity of a naltrindole analogue with a regioisomeric indole moiety.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin receptor, and mu/kappa opioid receptor, Uniprot P32300, P41144, P41146, and P97266
DOI: 10.7270/q20g3m3c
title: BindingDB Entry 50038911: Sulfonamides with the N-alkyl-N'-dialkylguanidine moiety as 5-HT7 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and Serotonin (5-HT) receptor, Uniprot P14842, P19327, and P34969
DOI: 10.7270/q23b616c
title: BindingDB Entry 50039744: Structure-based design of novel class II c-Met inhibitors: 2. SAR and kinase selectivity profiles of the pyrazolone series.

description: Small molecule binding data for protein AKT/p21CIP1, Aurora kinase B/Inner centromere protein, Cyclin-Dependent Kinase 5 (CDK5), Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage-stimulating protein receptor, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 9, Ribosomal protein S6 kinase (P70S6K), Ribosomal protein S6 kinase alpha 5, SRC, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and cAMP-dependent protein kinase (PKA), Uniprot O14965, O60674, O75582, P00519, P06213, P06239, P07949, P08069, P08581, P10721, P11309, P11362, P12931, P17612, P23443, P23458, P27361, P31749, P31751, P35968, P45984, P52333, Q00535, Q02763, Q04912, Q06187, Q15078, Q16539, Q96GD4, and Q9P1W9
DOI: 10.7270/q23f4qc5
title: BindingDB Entry 50037067: Design of substrate-based inhibitors of human beta-secretase.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q23t9j2r
title: BindingDB Entry 50038003: Identification of a series of highly potent activators of the Nurr1 signaling pathway.

description: Small molecule binding data for protein Nuclear receptor subfamily 4 group A member 2, Uniprot P43354
DOI: 10.7270/q2474bs7
title: BindingDB Entry 50038910: Synthesis and bioactivity of substituted indan-1-ylideneaminoguanidine derivatives.

description: Small molecule binding data for protein Sodium/hydrogen exchanger 1, Uniprot P26431
DOI: 10.7270/q2571cn1
title: BindingDB Entry 50036235: Design and synthesis of side-chain conformationally restricted phenylalanines and their use for structure-activity studies on tachykinin NK-1 receptor.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 3 receptor, and TACR2, Uniprot P14600, P16177, and P16610
DOI: 10.7270/q2639qsx
title: BindingDB Entry 50039751: Rapid assembly of a library of lipophilic iminosugars via the thiol-ene reaction yields promising pharmacological chaperones for the treatment of Gaucher disease.

description: Small molecule binding data for protein Beta-glucosidase cytosolic and Glucocerebrosidase (Acid beta-Glucosidase), Uniprot P04062 and Q9H227
DOI: 10.7270/q27082b4
title: BindingDB Entry 50038917: The selectivity of protein kinase inhibitors: a further update.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, BR serine/threonine-protein kinase 2, C-RAF, CaM-kinase kinase alpha, CaM-kinase kinase beta, Casein kinase I isoform delta, Cyclin-Dependent Kinase 2 (CDK2), Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Ephrin receptor, Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), MAP kinase signal-integrating kinase 2, MAP kinase-interacting serine/threonine-protein kinase MNK1, Maternal embryonic leucine zipper kinase (MELK), Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, RAF serine/threonine protein kinase, Ribosomal protein S6 kinase (P70S6K), SM myosin light chain kinase (smMLCK), Serine/threonine-protein kinase Aurora-C, Serine/threonine-protein kinase D1, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase RIPK2, Serine/threonine-protein kinase Sgk1, Src, Tyrosine-protein kinase CSK, Tyrosine-protein kinase LCK, Tyrosine-protein kinase Yes, c-Jun N-terminal kinase, JNK, and cAMP-dependent protein kinase (PKA), Uniprot O00141, O14920, O43353, O43781, O96013, P00523, P04049, P06240, P07947, P11309, P15056, P17612, P20248, P23443, P24941, P29317, P41240, P45983, P45984, P48730, P49841, P53350, Q13188, Q13627, Q14680, Q15139, Q15746, Q16539, Q86V86, Q8IWQ3, Q8N5S9, Q92630, Q96GD4, Q96RR4, Q9BUB5, Q9HBH9, Q9P1W9, and Q9UQB9
DOI: 10.7270/q2736rzr
title: BindingDB Entry 50039743: 2-(Pyrrolidin-1-yl)ethyl-3,4-dihydroisoquinolin-1(2H)-one derivatives as potent and selective histamine-3 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 1A, Alpha-2A adrenergic receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Histamine H2 Receptor, Histamine H3 receptor, Histamine receptor (H3), Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Voltage-gated potassium channel, Uniprot P08908, P08913, P14416, P25021, P31645, P35367, P41595, P50406, Q01959, Q12809, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2765g2f
title: BindingDB Entry 50037066: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD).

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1D, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Dopamine D1 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Serotonin (5-HT) receptor, Serotonin receptor (2b and 2c), and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P07550, P08588, P08908, P08909, P14416, P14842, P21917, P21918, P28221, P28566, P34969, P35367, P35462, P41595, P47898, P50406, and Q61616
DOI: 10.7270/q27m08sm
title: BindingDB Entry 50038002: Design, synthesis, and biological evaluation of new (2E,6E)-10-(dimethylamino)-3,7-dimethyl-2,6-decadien-1-ol ethers as inhibitors of human and Trypanosoma cruzi oxidosqualene cyclase.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P38604, P48449, and Q96WJ0
DOI: 10.7270/q280537c
title: BindingDB Entry 50036242: Dual angiotensin converting enzyme/thromboxane synthase inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Thromboxane A2 Synthase (P450 TxA2), Uniprot P12822 and P24557
DOI: 10.7270/q28053jd
title: BindingDB Entry 50038909: Structure-activity relationship and molecular mechanisms of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4h-chromene-3-carboxylate (sha 14-1) and its analogues.

description: Small molecule binding data for protein Bcl-xL/BAK and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07817 and Q07820
DOI: 10.7270/q2bc40cz
title: BindingDB Entry 50038009: Synthesis of a novel inhibitor against MRSA and VRE: preparation from zerumbone ring opening material showing histidine-kinase inhibition.

description: Small molecule binding data for protein Sensor histidine kinase yycG, Uniprot Q45614
DOI: 10.7270/q2bz66sf
title: BindingDB Entry 50037065: 2-Substituted 4-(thio)chromenone 6-O-sulfamates: potent inhibitors of human steroid sulfatase.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2cc11js
title: BindingDB Entry 50038001: Novel nucleotide triphosphates as potent P2Y2 agonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P47900, P51582, and Q15077
DOI: 10.7270/q2cr5v0v
title: BindingDB Entry 50036241: Inhibitors of acyl-CoA:cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. 8. Incorporation of amide or amine functionalities into a series of disubstituted ureas and carbamates. Effects on ACAT inhibition in vitro and efficacy in vivo.

description: Small molecule binding data for protein Sterol O-acyltransferase, Soat, Uniprot O70536
DOI: 10.7270/q2cr5v9w
title: BindingDB Entry 50038908: 1- or 3-(3-Amino-2-hydroxy-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones: potent, selective, and orally efficacious norepinephrine reuptake inhibitors.

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/q2fj2htw
title: BindingDB Entry 50039749: Structure-activity relationship study of a CXC chemokine receptor type 4 antagonist, FC131, using a series of alkene dipeptide isosteres.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2g44r4r
title: BindingDB Entry 50038008: Design, synthesis, and biological evaluation of 1,3-dioxoisoindoline-5-carboxamide derivatives as T-type calcium channel blockers.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q2gh9jwt
title: BindingDB Entry 50038915: Synthesis and enzymatic evaluation of novel partially fluorinated thiol dual ACE/NEP inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Endothelin-converting enzyme 1 (ECE1), and Neprilysin, Uniprot P12821 and P42892