cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q28k78s7
title: BindingDB Entry 50020631: SAR of a novel 'Anthranilamide Like' series of VEGFR-2, multi protein kinase inhibitors for the treatment of cancer.

description: Small molecule binding data for protein AKT/p21CIP1, RAF serine/threonine protein kinase, Tyrosine-protein kinase Kit (Kit), and Vascular endothelial growth factor receptor 2, Uniprot P10721, P15056, P31749, and P35968
DOI: 10.7270/q28w3crm
title: BindingDB Entry 50014605: Khellinone derivatives as blockers of the voltage-gated potassium channel Kv1.3: synthesis and immunosuppressive activity.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot P22001
DOI: 10.7270/q2bc3z24
title: BindingDB Entry 50016311: Discovery of 3,3-dimethyl-5-hydroxypipecolic hydroxamate-based inhibitors of aggrecanase and MMP-13.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P45452, and P78536
DOI: 10.7270/q2c24w2w
title: BindingDB Entry 50018034: Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists.

description: Small molecule binding data for protein GRM7, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, and metabotropic glutamate 1/2, Uniprot P23385, P31424, P41594, Q13255, Q14416, Q14831, and Q14833
DOI: 10.7270/q2c828v2
title: BindingDB Entry 50016293: Carbonic anhydrase inhibitors. Synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with boron-containing sulfonamides, sulfamides, and sulfamates: toward agents for boron neutron capture therapy of hypoxic tumors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2fb52nb
title: BindingDB Entry 50020615: Synthesis and simple 18F-labeling of 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile as a high affinity radioligand for imaging monkey brain metabotropic glutamate subtype-5 receptors with positron emission tomography.

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-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, GRM8, Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), Histamine receptor (H4), Kappa-type opioid receptor, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 6, Mu-type opioid receptor, 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 and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sigma, Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot O00222, O15303, P07550, P08172, P08173, P08588, P08908, P08912, P08913, P11229, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P28221, P28222, P28223, P28335, P28566, P31424, P31645, P34969, P35348, P35367, P35368, P35372, P35462, P41143, P41145, P41595, P47898, P50406, Q01959, Q13255, Q14416, Q14833, Q4W594, Q99720, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2g160ch
title: BindingDB Entry 50016310: Synthesis and biological evaluation of 6,7-disubstituted 4-aminopyrido[2,3-d]pyrimidines as adenosine kinase inhibitors.

description: Small molecule binding data for protein Adenosine kinase, Uniprot P55263
DOI: 10.7270/q2gt5msw
title: BindingDB Entry 50018033: Hydrazides of clozapine: a new class of D1 dopamine receptor subtype selective antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Alpha-2A adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08913, P14416, P21728, P21917, P21918, and P28223
DOI: 10.7270/q2j38s8r
title: BindingDB Entry 50020628: Design and synthesis of 6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid derivatives as PPARgamma activators.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2jd4w8k
title: BindingDB Entry 50014599: Heterocyclic bis-cations as starting hits for design of inhibitors of the bifunctional enzyme histidine-containing protein kinase/phosphatase from Bacillus subtilis.

description: Small molecule binding data for protein HPr kinase, Uniprot O34483
DOI: 10.7270/q2kd1xch
title: BindingDB Entry 50014579: Amidines as amide bond replacements in VLA-4 antagonists.

description: Small molecule binding data for protein Integrin alpha-4/beta7, Uniprot P13612 and P26010
DOI: 10.7270/q2ks6r23
title: BindingDB Entry 50016307: Synthesis and biological studies of yohimbine derivatives on human alpha2C-adrenergic receptors.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, and Alpha-2C adrenergic receptor, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q2nv9hz9
title: BindingDB Entry 50020627: Synthesis and SAR of tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-2(3H)-one 1,1-dioxide analogues as highly potent selective androgen receptor modulators.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275 and P19091
DOI: 10.7270/q2p55mzf
title: BindingDB Entry 50014591: Synthesis and selective cyclooxygenase-2 inhibitory activity of a series of novel, nitric oxide donor-containing pyrazoles.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2q81cq7
title: BindingDB Entry 50018046: Discovery of potent and orally available malonyl-CoA decarboxylase inhibitors as cardioprotective agents.

description: Small molecule binding data for protein Malonyl-CoA decarboxylase, Uniprot O95822
DOI: 10.7270/q2qj7gsd
title: BindingDB Entry 50016306: Synthesis and evaluation of urea-based indazoles as melanin-concentrating hormone receptor 1 antagonists for the treatment of obesity.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor 1
DOI: 10.7270/q2r78dtm
title: BindingDB Entry 50018024: Inhibitors of epidermal growth factor receptor tyrosine kinase: optimisation of potency and in vivo pharmacokinetics.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2sj1k9q
title: BindingDB Entry 50020626: Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA), Uniprot P04035
DOI: 10.7270/q2st7p90
title: BindingDB Entry 50014590: Selective, orally active gamma-aminobutyric acidA alpha5 receptor inverse agonists as cognition enhancers.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, and P47869
DOI: 10.7270/q2v124dh
title: BindingDB Entry 50018042: Tetrahydrofluorenones with conformationally restricted side chains as selective estrogen receptor beta ligands.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2v987k1
title: BindingDB Entry 50016304: Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase.

description: Small molecule binding data for protein Tryptase, Uniprot Q15661,P20231
DOI: 10.7270/q2x929z4
title: BindingDB Entry 50020625: Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA), Uniprot P04035
DOI: 10.7270/q2xk8f08
title: BindingDB Entry 50014589: Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2zs2w33
title: BindingDB Entry 50018040: Selective COX-2 inhibitors. Part 1: synthesis and biological evaluation of phenylazobenzenesulfonamides.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), and Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot P23219, P35354, and P79208
DOI: 10.7270/q2028r81
title: BindingDB Entry 50020648: SAR and QSAR studies on the N-terminally acylated pentapeptide agonists for GPR54.

description: Small molecule binding data for protein G-protein Coupled Receptor 54, Uniprot Q969F8
DOI: 10.7270/q2125scz
title: BindingDB Entry 50020636: Aza analogues of equol: novel ligands for estrogen receptor beta.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q21c1w9w
title: BindingDB Entry 50014616: Facile synthesis of fused 1,2,4-triazolo[1,5-c]pyrimidine derivatives as human adenosine A3 receptor ligands.

description: Small molecule binding data for protein Adenosine receptor A2a and Adenosine receptor A3, Uniprot P0DMS8 and P29274
DOI: 10.7270/q22j6bf0
title: BindingDB Entry 50018054: Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.

description: Small molecule binding data for protein Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) and dUTP pyrophosphatase, Uniprot P33316 and Q8II92
DOI: 10.7270/q2542n1m
title: BindingDB Entry 50014615: Potentiation of cytotoxic drug activity in human tumour cell lines, by amine-substituted 2-arylbenzimidazole-4-carboxamide PARP-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q25m6589
title: BindingDB Entry 50016328: New inhibitors of rabbit muscle triose-phosphate isomerase.

description: Small molecule binding data for protein Triosephosphate isomerase, Uniprot P00939
DOI: 10.7270/q269735q
title: BindingDB Entry 50018053: 2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists. 3. Synthesis, pharmacokinetics, and in vivo potency.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Oxytocin receptor, Uniprot P05177, P08684, P10635, P11712, P30559, and P33261
DOI: 10.7270/q26m36c7
title: BindingDB Entry 50016312: Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q27m07mz
title: BindingDB Entry 50020645: Synthesis of novel lactam derivatives and their evaluation as ligands for the dopamine receptors, leading to a D(4)-selective ligand.

description: Small molecule binding data for protein Dopamine D5 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21918, and P35462
DOI: 10.7270/q2930ss8
title: BindingDB Entry 50018069: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides.

description: Small molecule binding data for protein Acetylcholinesterase, Endothelin-converting enzyme 1 (ECE1), Neprilysin, and Neutral Endopeptidase (NEP), Uniprot P07861, P08049, P08473, P22303, and P42892
DOI: 10.7270/q29c6x0n
title: BindingDB Entry 50016326: Novel 2-N,N-dimethylaminomethyl-2,3,3a,12b-tetrahydrodibenzo[b,f]furo[2,3-d]oxepin derivatives displaying combined norepinephrine reuptake inhibition and 5-HT2A/2C receptor antagonism.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Nociceptin/Orphanin FQ, NOP receptor, Uniprot P28223, P28335, and P35370
DOI: 10.7270/q2b27twn
title: BindingDB Entry 50018051: New 3-alkylamino-4H-thieno-1,2,4-thiadiazine 1,1-dioxide derivatives activate ATP-sensitive potassium channels of pancreatic beta cells.

description: Small molecule binding data for protein Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1, Uniprot Q09428 and Q14654
DOI: 10.7270/q2cc10c4
title: BindingDB Entry 50020643: Benzo[b]thiophene-based histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2cn73bz
title: BindingDB Entry 50014632: Orally bioavailable small molecule ketoamide-based inhibitors of cathepsin K.

description: Small molecule binding data for protein Cathepsin K, Uniprot P43235
DOI: 10.7270/q2db81jd
title: BindingDB Entry 50020630: Design, synthesis, and evaluation of 3,4-disubstituted pyrazole analogues as anti-tumor CDK inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Serine/threonine-protein kinase Aurora, and Vascular endothelial growth factor receptor 2, Uniprot O14965, P04626, and P35968
DOI: 10.7270/q2dn44hs
title: BindingDB Entry 50014603: 4-(tetralin-1-yl)- and 4-(naphthalen-1-yl)alkyl derivatives of 1-cyclohexylpiperazine as sigma receptor ligands with agonist sigma2 activity.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, and Sigma, Uniprot P35563, P61169, Q99720, and Q9JJ16
DOI: 10.7270/q2f47nph
title: BindingDB Entry 50016325: Synthesis, in vivo and in vitro biological activity of novel azaline B analogs.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q2ft8knh
title: BindingDB Entry 50018050: Design, synthesis, and structure-activity relationships of novel 2-substituted pyrazinoylguanidine epithelial sodium channel blockers: drugs for cystic fibrosis and chronic bronchitis.

description: Small molecule binding data for protein Amiloride-sensitive sodium channel alpha-subunit, Uniprot P37088
DOI: 10.7270/q2h41r4x
title: BindingDB Entry 50020641: Synthesis and structure-activity relationship of a novel, non-hydroxamate series of TNF-alpha converting enzyme inhibitors.

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot O77636, P08253, P08254, P09237, P39900, and P45452
DOI: 10.7270/q2hd7v3r
title: BindingDB Entry 50014627: Rational design and synthesis of novel heparan sulfate mimetic compounds as antiadhesive agents.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5 and Heparanase, Uniprot P05556, P08648, and Q9Y251
DOI: 10.7270/q2jm298v
title: BindingDB Entry 50018062: Structural requirements for the substrates of the H+/peptide cotransporter PEPT2 determined by three-dimensional quantitative structure-activity relationship analysis.

description: Small molecule binding data for protein Oligopeptide transporter small intestine isoform and Oligopeptide transporter, kidney isoform, Uniprot P46059 and Q63424
DOI: 10.7270/q2jw8ddx
title: BindingDB Entry 50016324: Benzothieno[3,2-b]indole derivatives as potent selective estrogen receptor modulators.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2kk9bc7
title: BindingDB Entry 50018049: Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2mw2gvx
title: BindingDB Entry 50020639: Synthesis and matrix metalloproteinase (MMP)-12 inhibitory activity of ageladine A and its analogs.

description: Small molecule binding data for protein Matrix metalloproteinase-12 (MMP12), Uniprot P39900
DOI: 10.7270/q2n58kt2
title: BindingDB Entry 50014623: Statin-derived 1,3-oxazinan-2-ones as submicromolar inhibitors of LFA-1/ICAM-1 interaction: stabilization of the metabolically labile vanillyl side chain.

description: Small molecule binding data for protein Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha and Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha, Uniprot P05107, P05362, and P20701
DOI: 10.7270/q2pc320k
title: BindingDB Entry 50018061: C-(4,5,6-trimethoxyindan-1-yl)methanamine: a mescaline analogue designed using a homology model of the 5-HT2A receptor.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909 and P14842
DOI: 10.7270/q2pk0fp1
title: BindingDB Entry 50016322: Evaluation of 3-substituted arginine analogs as selective inhibitors of human nitric oxide synthase isozymes.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, inducible, and Nitric-oxide synthase (endothelial and brain), Uniprot P29475 and P35228
DOI: 10.7270/q2rn37j6
title: BindingDB Entry 50020638: Himbacine derived thrombin receptor (PAR-1) antagonists: SAR of the pyridine ring.

description: Small molecule binding data for protein Cannabinoid receptor 2 and Proteinase-activated receptor 1 (PAR1), Uniprot P25116 and P34972
DOI: 10.7270/q2rx9bh1
title: BindingDB Entry 50014621: Linker-modified quinoline derivatives targeting HIV-1 integrase: synthesis and biological activity.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2t15384
title: BindingDB Entry 50018059: From ligand to complexes: inhibition of human immunodeficiency virus type 1 integrase by beta-diketo acid metal complexes.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2tb16dr
title: BindingDB Entry 50016321: Synthesis and biological evaluation of sulfonamidooxazoles and beta-keto sulfones: selective inhibitors of 11beta-hydroxysteroid dehydrogenase type I.

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/q2w958x3
title: BindingDB Entry 50020637: Inhibitors of anthrax lethal factor.

description: Small molecule binding data for protein Antrax lethal toxin, Uniprot P15917
DOI: 10.7270/q2wm1cv1
title: BindingDB Entry 50014618: Discovery and SAR of potent, orally available and brain-penetrable 5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen- and 4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen derivatives as neuropeptide Y Y5 receptor antagonists.

description: Small molecule binding data for protein NPY5R, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 5 ( NPY Y5), and PPYR1, Uniprot P25929, P49146, P50391, Q15761, and Q63634
DOI: 10.7270/q2xs5v05
title: BindingDB Entry 50018058: Further structural exploration of trisubstituted asymmetric pyran derivatives (2S,4R,5R)-2-benzhydryl-5-benzylamino-tetrahydropyran-4-ol and their corresponding disubstituted (3S,6S) pyran derivatives: a proposed pharmacophore model for high-affinity interaction with the dopamine, serotonin, and no

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/q2z31z5j
title: BindingDB Entry 50016319: Synthesis and biological evaluation of chromone carboxamides as calpain inhibitors.

description: Small molecule binding data for protein Calpain1/2, Uniprot P07384
DOI: 10.7270/q20c4v6z
title: BindingDB Entry 50014640: Synthesis of 1alpha,25-dihydroxyvitamin D3-26,23-lactams (DLAMs), a novel series of 1 alpha,25-dihydroxyvitamin D3 antagonist.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot O42392
DOI: 10.7270/q20v8c9v
title: BindingDB Entry 50016364: Design, synthesis, and biological evaluation of novel 4-hydroxypyrone derivatives as HIV-1 protease inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q21j99dz
title: BindingDB Entry 50018074: Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q21v5dh4
title: BindingDB Entry 50016329: Synthesis and structure-activity relationship of 3-phenyl-3H-quinazolin-4-one derivatives as CXCR3 chemokine receptor antagonists.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q23t9gx4
title: BindingDB Entry 50020647: Fluorine-18-labeled benzamide analogues for imaging the sigma2 receptor status of solid tumors with positron emission tomography.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2445kwt
title: BindingDB Entry 50014637: Discovery of a potent and selective alpha v beta 3 integrin antagonist with strong inhibitory activity against neointima formation in rat balloon injury model.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q24m9421
title: BindingDB Entry 50016361: Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents.

description: Small molecule binding data for protein cGMP-dependent protein kinase
DOI: 10.7270/q25b023s
title: BindingDB Entry 50018070: Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide, an agonist of the alpha7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: synthesis and structure--activity relationship.

description: Small molecule binding data for protein Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain, Cytochrome P450 2D6 (2D6), Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, and Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor, Uniprot A5X5Y0, O95264, P02708, P07510, P10635, P11230, P30926, P32297, P46098, Q05941, Q07001, Q70Z44, and Q8WXA8
DOI: 10.7270/q26m36jg
title: BindingDB Entry 50020665: Aminopyrrolidineamide inhibitors of site-1 protease.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Membrane-bound transcription factor site-1 protease, and Urokinase-type plasminogen activator, Uniprot P00742, P00749, and Q14703