cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2319wqg
title: BindingDB Entry 50037766: Synthesis and receptor binding properties of chimeric peptides containing a mu-opioid receptor ligand and nociceptin/orphanin FQ receptor ligand Ac-RYYRIK-amide.

description: Small molecule binding data for protein Nociceptin receptor and Nociceptin/mu opioid receptor, Uniprot P33535 and P41146
DOI: 10.7270/q23f4q8t
title: BindingDB Entry 50035978: Synthesis and anticancer and antiviral activities of various 2'- and 3'-methylidene-substituted nucleoside analogues and crystal structure of 2'-deoxy-2'-methylidenecytidine hydrochloride.

description: Small molecule binding data for protein Cytidine deaminase (CDA), Uniprot P32320
DOI: 10.7270/q24f1rb9
title: BindingDB Entry 50035970: Sulfonylbenzoyl-nitrostyrenes: potential bisubstrate type inhibitors of the EGF-receptor tyrosine protein kinase.

description: Small molecule binding data for protein Epidermal growth factor receptor and Tyrosine-protein kinase ABL, Uniprot P00519, P00533, and P42684
DOI: 10.7270/q24f1rnb
title: BindingDB Entry 50038655: Synthesis and discovery of high affinity folate receptor-specific glycinamide ribonucleotide formyltransferase inhibitors with antitumor activity.

description: Small molecule binding data for protein GAR transformylase and Glycinamide ribonucleotide formyltransferase (GARFTase), Uniprot P22102 and Q64737
DOI: 10.7270/q2639qrg
title: BindingDB Entry 50039542: Novel, druglike 1,7-disubstituted 2,3,4,5-tetrahydro-1H-benzo[b]azepine-based selective inhibitors of human neuronal nitric oxide synthase (nNOS).

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, endothelial, Nitric oxide synthase, inducible, Nitric-oxide synthase (endothelial and brain), and Nitric-oxide synthase, brain, Uniprot P29475, P29476, P35228, Q06518, and Q62600
DOI: 10.7270/q26t0nff
title: BindingDB Entry 50037765: Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors.

description: Small molecule binding data for protein Caspase-1, Caspase-3, and Caspase-8, Uniprot P29466, P42574, and Q14790
DOI: 10.7270/q2765fx7
title: BindingDB Entry 50035977: Targeting 5'-deoxy-5'-(methylthio)adenosine phosphorylase by 5'-haloalkyl analogues of 5'-deoxy-5'-(methylthio)adenosine.

description: Small molecule binding data for protein S-methyl-5-thioadenosine phosphorylase, Uniprot Q9CQ65
DOI: 10.7270/q2862hbm
title: BindingDB Entry 50038654: Redesigning kinase inhibitors to enhance specificity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q29k4c1s
title: BindingDB Entry 50037773: Binding of 13-amidohuprines to acetylcholinesterase: exploring the ligand-induced conformational change of the gly117-gly118 peptide bond in the oxyanion hole.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276, P22303, and P23795
DOI: 10.7270/q29w0ggf
title: BindingDB Entry 50039541: Discovery of P2X3 selective antagonists for the treatment of chronic pain.

description: Small molecule binding data for protein Cytochrome P450 2C9, P2X purinoceptor 3, and P2X2/P2X3 receptor, Uniprot P11712, P49654, and P56373
DOI: 10.7270/q2bk1d4q
title: BindingDB Entry 50037764: Synthesis of adenophostin A analogues conjugating an aromatic group at the 5'-position as potent IP3 receptor ligands.

description: Small molecule binding data for protein Inositol 1,4,5-trisphosphate receptor type 1, Uniprot P29994
DOI: 10.7270/q2bz66nn
title: BindingDB Entry 50035976: Highly selective adenosine A2 receptor agonists in a series of N-alkylated 2-aminoadenosines.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2dv1kk0
title: BindingDB Entry 50036859: Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2fb53qn
title: BindingDB Entry 50037771: Synthesis of gallic acid based naphthophenone fatty acid amides as cathepsin D inhibitors.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q2fn1765
title: BindingDB Entry 50039540: Synthesis and evaluation of 2-amido-3-carboxamide thiophene CB2 receptor agonists for pain management.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P20272, P21554, P34972, and Q9QZN9
DOI: 10.7270/q2gq6zc0
title: BindingDB Entry 50035975: 3-Thienyl- and 3-furylaminobutyric acids. Synthesis and binding GABAB receptor studies.

description: Small molecule binding data for protein GABA-B receptor 1/2, Uniprot O88871 and Q9Z0U4
DOI: 10.7270/q2hq40ts
title: BindingDB Entry 50038652: Synthesis of stable and selective inhibitors of human galectins-1 and -3.

description: Small molecule binding data for protein Galectin-1 and Galectin-3, Uniprot P09382 and P17931
DOI: 10.7270/q2jh3mw0
title: BindingDB Entry 50036858: Novel 3-aminomethyl- and 4-aminopiperidine analogues of 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazines: synthesis and evaluation as dopamine transporter ligands.

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/q2k35vf0
title: BindingDB Entry 50037770: Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, AXL receptor tyrosine kinase, C-RAF, CaM kinase IV, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity mitogen-activated protein kinase kinase 6, Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Glycogen synthase kinase-3, Inhibitor of NF-kappa-B kinase (IKK), Insulin-like growth factor I receptor, MAP kinase ERK2, MAP kinase p38, MAP kinase-activated protein kinase 2, MAP kinase-activated protein kinase 5, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 9, PKC alpha and beta-2, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C iota (PKCι), Protein kinase C, epsilon, Protein kinase C, eta, Protein kinase C, gamma, Protein kinase N2, Rho-associated protein kinase, Ribosomal protein S6 kinase 2/S6K1, Ribosomal protein S6 kinase alpha 3, SRC, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase D1, Serine/threonine-protein kinase D2 (PKD2), Serine/threonine-protein kinase Sgk1, Tyrosine-protein kinase ABL, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BMX, Tyrosine-protein kinase Blk, Tyrosine-protein kinase CSK, Tyrosine-protein kinase SYK, 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), c-Jun N-terminal kinase, JNK, cAMP-dependent protein kinase (PKA), p21-Activated kinase 2 (PAK2), and p38 delta/gamma, Uniprot L7RSL3, O00141, O14733, O14757, O14920, O14965, O15111, O15264, O15530, O75116, O96017, P00519, P04049, P05129, P05771, P06493, P07948, P08069, P09619, P11362, P11802, P16234, P17252, P17612, P17948, P21802, P22607, P22612, P22694, P23443, P24723, P24941, P27361, P28482, P30530, P31749, P31751, P35968, P41240, P41743, P42684, P43403, P43405, P45983, P45984, P45985, P49137, P49841, P51451, P51812, P51813, P52564, P53778, P53779, Q00534, Q02156, Q02750, Q02763, Q05655, Q13177, Q15139, Q15759, Q16513, Q16539, Q16566, Q8IW41, Q9BZL6, Q9UBS0, and Q9Y243
DOI: 10.7270/q2kd1zx3
title: BindingDB Entry 50039539: A novel series of benzimidazole NR2B-selective NMDA 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, and Glutamate [NMDA] receptor, Uniprot P05177, P08684, P10635, P11712, P33261, and Q13224
DOI: 10.7270/q2mg7q45
title: BindingDB Entry 50035974: Synthesis and biochemical studies of 16- or 19-substituted androst-4-enes as aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2mg7qdr
title: BindingDB Entry 50038659: Investigations concerning the COX/5-LOX inhibiting and hydroxyl radical scavenging potencies of novel 4,5-diaryl isoselenazoles.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot O62664 and P35354
DOI: 10.7270/q2ng4rj4
title: BindingDB Entry 50038651: 2-Arylpyrimidines: novel CRF-1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2p84ck8
title: BindingDB Entry 50036857: 3,4-dihydro-2(1H)-quinolinone as a novel antidepressant drug: synthesis and pharmacology of 1-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-3,4- dihydro-5-methoxy-2(1H)-quinolinone and its derivatives.

description: Small molecule binding data for protein OPIATE Sigma, Uniprot Q9R0C9
DOI: 10.7270/q2pv6m5d
title: BindingDB Entry 50037769: Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Coagulation factor XI, and Prothrombin, Uniprot P00734, P00742, and P03951
DOI: 10.7270/q2q52qnt
title: BindingDB Entry 50039538: Oroxylin A analogs exhibited strong inhibitory activities against iNOS-mediated nitric oxide (NO) production.

description: Small molecule binding data for protein Nitric Oxide Synthase, inducible, Uniprot P29477
DOI: 10.7270/q2r78ft1
title: BindingDB Entry 50035973: Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Histamine H1 receptor, and Serotonin (5-HT) receptor, Uniprot P19327, P31389, and P61169
DOI: 10.7270/q2r78g4g
title: BindingDB Entry 50038658: Potent inhibition of human phosphodiesterase-5 by icariin derivatives.

description: Small molecule binding data for protein Phosphodiesterase 6C (PDE6C) and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074 and P51160
DOI: 10.7270/q2sx6f7v
title: BindingDB Entry 50039545: An example of designed multiple ligands spanning protein classes: dual MCH-1R antagonists/DPPIV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Melanin-concentrating hormone receptor, and Voltage-gated potassium channel, Uniprot P27487, Q12809, Q6V1X1, Q86TI2, and Q99705
DOI: 10.7270/q2tm7bx5
title: BindingDB Entry 50037768: Synthesis and structure-activity relationships of retro bis-aminopyrrolidine urea (rAPU) derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1). Part 2.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6) and Melanin-concentrating hormone receptor, Uniprot P10635 and Q99705
DOI: 10.7270/q2tx3gc7
title: BindingDB Entry 50039537: 2-Amidino analogs of glycine-amiloride conjugates: inhibitors of urokinase-type plasminogen activator.

description: Small molecule binding data for protein Plasminogen, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00747, P00749, and P00750
DOI: 10.7270/q2w096h9
title: BindingDB Entry 50035972: Synthesis and evaluation of antiinflammatory activities of a series of corticosteroid 17 alpha-esters containing a functional group.

description: Small molecule binding data for protein Glucocorticoid, Uniprot P06536
DOI: 10.7270/q2w096vs
title: BindingDB Entry 50038657: Discovery and optimization of a novel series of N-arylamide oxadiazoles as potent, highly selective and orally bioavailable cannabinoid receptor 2 (CB2) agonists.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P20272, P21554, P34972, and Q9QZN9
DOI: 10.7270/q2xs5w3x
title: BindingDB Entry 50036854: Structural determinants of efficacy for kappa opioid receptors in the orvinol series: 7,7-spiro analogues of buprenorphine.

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/q2zc83nw
title: BindingDB Entry 50037767: Structure-activity relationships of uridine 5'-diphosphate analogues at the human P2Y6 receptor.

description: Small molecule binding data for protein Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P51582, and Q15077
DOI: 10.7270/q21g0n9n
title: BindingDB Entry 50039551: Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.

description: Small molecule binding data for protein Kallikrein-1 (KLK1), Plasma kallikrein (KLKB1), and Prostate specific antigen, Uniprot P03952, P06870, and P07288
DOI: 10.7270/q21j9bg8
title: BindingDB Entry 50036863: beta-Turned dipeptoids as potent and selective CCK(1) receptor antagonists.

description: Small molecule binding data for protein CCKBR and Cholecystokinin receptor, Uniprot P30551 and P30553
DOI: 10.7270/q2251jzh
title: BindingDB Entry 50037775: Discovery of a new class of macrocyclic antagonists to the human motilin receptor.

description: Small molecule binding data for protein Motilin receptor, Uniprot O43193
DOI: 10.7270/q22j6cgv
title: BindingDB Entry 50035990: Design and synthesis of potent, selective, and orally active fluorine-containing renin inhibitors.

description: Small molecule binding data for protein Cathepsin D and Renin, Uniprot P00797 and P80209
DOI: 10.7270/q23j3dvc
title: BindingDB Entry 50038663: Alkaloids from the Australian rainforest tree Ochrosia moorei.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2571d1c
title: BindingDB Entry 50039550: Discovery of thiadiazole amides as potent, S1P3-sparing agonists of sphingosine-1-phosphate 1 (S1P1) receptor.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q25b036j
title: BindingDB Entry 50036862: Benzo[c]quinolizin-3-ones: a novel class of potent and selective nonsteroidal inhibitors of human steroid 5alpha-reductase 1.

description: Small molecule binding data for protein 5α-Reductase 1 (5α-R1) and Steroid 5-alpha-reductase, Uniprot P18405 and P31213
DOI: 10.7270/q25t3m92
title: BindingDB Entry 50037774: trans-2,3-dihydroxy-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline: synthesis, resolution, and preliminary pharmacological characterization of a new dopamine D1 receptor full agonist.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D1 receptor, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08913, P14416, P18089, P18825, P21728, P21917, P21918, P35462, P50130, P61169, and Q4W594
DOI: 10.7270/q2765g7p
title: BindingDB Entry 50038662: Amiodarone and bepridil inhibit anthrax toxin entry into host cells.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q28p619q
title: BindingDB Entry 50037782: Design, synthesis, and incorporation of a beta-turn mimetic in angiotensin II forming novel pseudopeptides with affinity for AT1 and AT2 receptors.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P50052
DOI: 10.7270/q28w3f9m
title: BindingDB Entry 50039549: N-Caffeoyl serotonin as selective COX-2 inhibitor.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2930tw1
title: BindingDB Entry 50036861: N-cycloalkyl derivatives of adenosine and 1-deazaadenosine as agonists and partial agonists of the A(1) adenosine receptor.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a) and Adenosine receptor A1, Uniprot P25099 and P30543
DOI: 10.7270/q29z95h8
title: BindingDB Entry 50035988: N-modified analogues of cocaine: synthesis and inhibition of binding to the cocaine receptor.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2bz66x7
title: BindingDB Entry 50038661: Inhibition of siderophore biosynthesis in Mycobacterium tuberculosis with nucleoside bisubstrate analogues: structure-activity relationships of the nucleobase domain of 5'-O-[N-(salicyl)sulfamoyl]adenosine.

description: Small molecule binding data for protein 2,3-dihydroxybenzoate-AMP ligase
DOI: 10.7270/q2cv4jg2
title: BindingDB Entry 50036869: Synthesis and evaluation of N,N-dialkyl enkephalin-based affinity labels for delta opioid receptors.

description: Small molecule binding data for protein Delta-type opioid receptor and Opioid receptors; mu & delta, Uniprot P32300 and P33533
DOI: 10.7270/q2db82n5
title: BindingDB Entry 50037781: Design, synthesis, and biological evaluation of new 1,8-naphthyridin-4(1H)-on-3-carboxamide and quinolin-4(1H)-on-3-carboxamide derivatives as CB2 selective agonists.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1 (CB1R), Uniprot P47746 and P47936
DOI: 10.7270/q2dn461b
title: BindingDB Entry 50039548: New 4-[(5-arylidene-2-arylimino-4-oxo-3-thiazolidinyl)methyl]benzoic acids active as protein tyrosine phosphatase inhibitors endowed with insulinomimetic effect on mouse C2C12 skeletal muscle cells.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Protein-tyrosine phosphatase 1B, and T-cell protein-tyrosine phosphatase, Uniprot P17706, P18031, and P24666
DOI: 10.7270/q2fq9x7m
title: BindingDB Entry 50035987: 2 beta-substituted analogues of cocaine. Synthesis and inhibition of binding to the cocaine receptor.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2fq9xh6
title: BindingDB Entry 50038668: Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit.

description: Small molecule binding data for protein GABA A Alpha4Beta2Gamma2, GABA A receptor alpha-1/beta-1/gamma-2, GABA A receptor alpha-2/beta-2/gamma-2, GABA A receptor alpha-3/beta-2/gamma-2, GABA A receptor alpha-6/beta-2/gamma-2, and Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)), Uniprot P14867, P31644, P34903, P47869, P48169, and Q16445
DOI: 10.7270/q2gq6znk
title: BindingDB Entry 50038660: Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease.

description: Small molecule binding data for protein Cytochrome P450 2C9, Muscarinic acetylcholine receptor, Phosphodiesterase 3 (PDE3), cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P11712, P20309, P27815, Q07343, Q08493, Q08499, and Q14432
DOI: 10.7270/q2hm595b
title: BindingDB Entry 50036868: trans-1-[(2-Phenylcyclopropyl)methyl]-4-arylpiperazines: mixed dopamine D(2)/D(4) receptor antagonists as potential antipsychotic agents.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Dopamine receptors; D2 & D4, Uniprot P14416 and P21917
DOI: 10.7270/q2j38tb2
title: BindingDB Entry 50037780: Curcumin and dehydrozingerone derivatives: synthesis, radiolabeling, and evaluation for beta-amyloid plaque imaging.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q2jd4xsq
title: BindingDB Entry 50039547: Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), Uniprot P28335
DOI: 10.7270/q2kh0nzg
title: BindingDB Entry 50035984: Substituted 2-(aminomethyl)piperidines: a novel class of selective protein kinase C inhibitors.

description: Small molecule binding data for protein Protein kinase C alpha and cAMP-Dependent Protein Kinase (PKA), Uniprot P05696 and P27791
DOI: 10.7270/q2kh0p7g
title: BindingDB Entry 50038667: Characterization of the drug binding specificity of rat liver fatty acid binding protein.

description: Small molecule binding data for protein Intestinal fatty acid-binding protein (hIFABP), Liver fatty acid binding protein (human L-FABP T94T), and Liver fatty acid binding protein (rat L-FABP), Uniprot P02692, P07148, and P12104
DOI: 10.7270/q2n87bgb
title: BindingDB Entry 50036867: Computational predictions of binding affinities to dihydrofolate reductase: synthesis and biological evaluation of methotrexate analogues.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374 and Q920D2
DOI: 10.7270/q2nv9k11
title: BindingDB Entry 50037779: Simplified analogues of immucillin-G retain potent human purine nucleoside phosphorylase inhibitory activity.

description: Small molecule binding data for protein Purine nucleoside phosphorylase, Uniprot P00491
DOI: 10.7270/q2p55phf
title: BindingDB Entry 50039546: Anti-inflammatory and PPAR transactivational effects of secondary metabolites from the roots of Asarum sieboldii.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2q81dqn
title: BindingDB Entry 50035982: N6,9-disubstituted adenines: potent, selective antagonists at the A1 adenosine receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2q81f0n
title: BindingDB Entry 50038666: Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1), and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061, P28845, and P37059
DOI: 10.7270/q2s1835m
title: BindingDB Entry 50036866: Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent.

description: Small molecule binding data for protein Dihydrofolate reductase and Thymidylate synthase, Uniprot P00374, P04818, and P45352