cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2q241d4
title: BindingDB Entry 50040728: Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, JAK2/TYK2, JAK3/JAK1, NT-3 growth factor receptor, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, Proto-oncogene tyrosine-protein kinase ROS, SRC, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P04629, P05177, P06241, P08684, P08922, P10635, P11712, P23458, P29597, P33261, P52333, Q16288, and Q16620
DOI: 10.7270/q2rj4kxm
title: BindingDB Entry 50043539: In vitro structure-activity relationships of aplysinopsin analogs and their in vivo evaluation in the chick anxiety-depression model.

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2tt4s3q
title: BindingDB Entry 50040727: Pharmacokinetic optimization of class-selective histone deacetylase inhibitors and identification of associated candidate predictive biomarkers of hepatocellular carcinoma tumor response.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), Histone deacetylase 8, and Voltage-gated potassium channel, Uniprot A0A024QZ26, O15379, P05177, P08684, P10635, P11712, P33261, P56524, Q12809, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2vd70qk
title: BindingDB Entry 50041963: Discovery of novela7 nicotinic acetylcholine receptor ligands via pharmacophoric and docking studies of benzylidene anabaseine analogs.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q2w37xh8
title: BindingDB Entry 50041224: Receptor surface models. 2. Application to quantitative structure-activity relationships studies.

description: Small molecule binding data for protein Dopamine beta-hydroxylase, Uniprot P09172
DOI: 10.7270/q2zg6tc8
title: BindingDB Entry 50040726: A bactericidal guanidinomethyl biaryl that alters the dynamics of bacterial FtsZ polymerization.

description: Small molecule binding data for protein Cell division protein FtsZ, Uniprot P0A031 and P0A9A6
DOI: 10.7270/q2028t08
title: BindingDB Entry 50043545: Click chemistry based synthesis of dopamine D4 selective receptor ligands for the selection of potential PET tracers.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, P50130, and Q28998
DOI: 10.7270/q21c1z5x
title: BindingDB Entry 50042492: Cis-amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.

description: Small molecule binding data for protein PI3-kinase subunit alpha, Uniprot P42336
DOI: 10.7270/q22808r5
title: BindingDB Entry 50040733: Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitors.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q22z16s2
title: BindingDB Entry 50041969: 3D-QSAR and 3D-QSSR models of negative allosteric modulators facilitate the design of a novel selective antagonist of humana4ß2 neuronal nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q26111ff
title: BindingDB Entry 50040732: Discovery of 3-cyclopropylmethyl-7-(4-phenylpiperidin-1-yl)-8-trifluoromethyl[1,2,4]triazolo[4,3-a]pyridine (JNJ-42153605): a positive allosteric modulator of the metabotropic glutamate 2 receptor.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Metabotropic glutamate receptor 2 (mGluR2), Uniprot P05177, P08684, P10635, P11712, P33261, and Q14416
DOI: 10.7270/q27d2wbx
title: BindingDB Entry 50041229: Keto/enol epoxy steroids as HIV-1 Tat inhibitors: structure-activity relationships and pharmacophore localization.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 Tat protein, Uniprot P04326
DOI: 10.7270/q27h1knw
title: BindingDB Entry 50040244: Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Indoleamine 2,3-dioxygenase 1, and Tryptophan 2,3-dioxygenase, Uniprot P14902, P28776, P48775, and P48776
DOI: 10.7270/q289177m
title: BindingDB Entry 50043001: Design, synthesis and evaluation of some new 4-aminopyridine derivatives in learning and memory.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q29s1s5g
title: BindingDB Entry 50040731: Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms.

description: Small molecule binding data for protein β-Carbonic anhydrase 2 (CA 2), Carbonic Anhydrase (mtCA 1), Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, 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, Carbonic anhydrase 9, and PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, P9WPJ7, P9WPJ9, Q16790, Q8N1Q1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2bg2q74
title: BindingDB Entry 50041967: An integrated computational workflow for efficient and quantitative modeling of renin inhibitors.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2c53n2n
title: BindingDB Entry 50041228: Farnesyl diphosphate-based inhibitors of Ras farnesyl protein transferase.

description: Small molecule binding data for protein Mevalonate kinase, Protein Farnesyltransferase (PFT), and Squalene synthetase, Uniprot P17256, P49354, P49356, and Q02769
DOI: 10.7270/q2cc124t
title: BindingDB Entry 50043542: The discovery and optimization of novel dual inhibitors of topoisomerase II and histone deacetylase.

description: Small molecule binding data for protein Histone deacetylase 3/NCoR1, Uniprot O15379
DOI: 10.7270/q2cn757f
title: BindingDB Entry 50042497: Synthesis, molecular modeling and evaluation of novel N'-2-(4-benzylpiperidin-/piperazin-1-yl)acylhydrazone derivatives as dual inhibitors for cholinesterases and Aß aggregation.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P22303 and P81908
DOI: 10.7270/q2d2200s
title: BindingDB Entry 50043000: Therapeutic agents triggering nonapoptotic cancer cell death.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2g44rkk
title: BindingDB Entry 50041966: Synthesis, biological evaluation, and docking studies of tetrahydrofuran- cyclopentanone- and cyclopentanol-based ligands acting at adrenergica1- and serotonine 5-HT1A receptors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P08908, P25100, P35348, and P35368
DOI: 10.7270/q2gx4csn
title: BindingDB Entry 50041227: Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Neurokinin 2 receptor, Oxytocin receptor, and TACR2, Uniprot P12821, P16610, P51144, P70536, and P79218
DOI: 10.7270/q2h133g8
title: BindingDB Entry 50043541: Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.

description: Small molecule binding data for protein Monocarboxylate transporter 4, Uniprot O15427
DOI: 10.7270/q2hd7x07
title: BindingDB Entry 50042496: Design and synthesis of novel 2-methyl-4,5-substitutedbenzo[f]-3,3a,4,5-tetrahydro-pyrazolo[1,5-d][1,4]oxazepin-8(7H)-one derivatives as telomerase inhibitors.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2ht2qqd
title: BindingDB Entry 50042999: Progress and developments in tau aggregation inhibitors for Alzheimer disease.

description: Small molecule binding data for protein Tau, Uniprot P10636
DOI: 10.7270/q2k938pd
title: BindingDB Entry 50040729: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2kp8376
title: BindingDB Entry 50040249: [¹8F]FE@SNAP-A new PET tracer for the melanin concentrating hormone receptor 1 (MCHR1): microfluidic and vessel-based approaches.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2kw5h90
title: BindingDB Entry 50041965: From libraries to candidate: the discovery of new ultra long-acting dibasicß2-adrenoceptor agonists.

description: Small molecule binding data for protein Alpha-1D adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P07550, P08588, P14416, P25100, and Q8K4Z4
DOI: 10.7270/q2ms3v69
title: BindingDB Entry 50043540: Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: a template-based approach.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PIM, and Serine/threonine-protein kinase mTOR, Uniprot O14757, P11309, P42345, Q86V86, and Q9P1W9
DOI: 10.7270/q2n58np3
title: BindingDB Entry 50042495: Inhibition of theß-carbonic anhydrases from Mycobacterium tuberculosis with C-cinnamoyl glycosides: identification of the first inhibitor with anti-mycobacterial activity.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2nk3gdp
title: BindingDB Entry 50042998: TBA

description: Small molecule binding data for protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A and Dual-specificity tyrosine-regulated kinases 1B, Uniprot Q13627 and Q9Y463
DOI: 10.7270/q2qn681q
title: BindingDB Entry 50041964: A multivalent approach to the discovery of long-actingß(2)-adrenoceptor agonists for the treatment of asthma and COPD.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot P07550 and P08588
DOI: 10.7270/q2rf5w7q
title: BindingDB Entry 50041225: New analogs of burimamide as potent and selective histamine H3 receptor antagonists: the effect of chain length variation of the alkyl spacer and modifications of the N-thiourea substituent.

description: Small molecule binding data for protein HRH3, Uniprot Q9JI35
DOI: 10.7270/q2rv0q16
title: BindingDB Entry 50042494: Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2s75hqp
title: BindingDB Entry 50042997: TBA

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9QYN8
DOI: 10.7270/q2w95bnb
title: BindingDB Entry 50043538: Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 5, Uniprot O15392
DOI: 10.7270/q2wm1fq2
title: BindingDB Entry 50042493: Regioselective synthesis of 5- and 6-methoxybenzimidazole-1,3,5-triazines as inhibitors of phosphoinositide 3-kinase.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2x068dz
title: BindingDB Entry 50042996: TBA

description: Small molecule binding data for protein PAK1, p21-Activated kinase 2 (PAK2), and p21-Activated kinase 3 (PAK3), Uniprot O75914, Q13153, and Q13177
DOI: 10.7270/q2xk8gpn
title: BindingDB Entry 50040734: N-substituted phenoxazine and acridone derivatives: structure-activity relationships of potent P2X4 receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 3, P2X purinoceptor 4, P2X purinoceptor 7, and PurinergicP2X2/3, Uniprot P51575, P51577, P56373, Q99571, Q99572, Q9JJX6, and Q9UBL9
DOI: 10.7270/q20c4x3f
title: BindingDB Entry 50042500: Design, synthesis and evaluation of novel heterodimers of donepezil and huperzine fragments as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303 and P37136
DOI: 10.7270/q20r9qsm
title: BindingDB Entry 50043003: Recent advances in malaria drug discovery.

description: Small molecule binding data for protein Lysyl-tRNA synthetase, Uniprot Q15046
DOI: 10.7270/q23n24k4
title: BindingDB Entry 50041230: Non-peptide fibrinogen receptor antagonists. 7. Design and synthesis of a potent, orally active fibrinogen receptor antagonist.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha-IIb/beta-3, and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08514, and P08648
DOI: 10.7270/q23t9jpt
title: BindingDB Entry 50043544: Novel highly potent serotonin 5-HT7 receptor ligands: structural modifications to improve pharmacokinetic properties.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2445ns9
title: BindingDB Entry 50042499: Design, synthesis, and structure-activity relationships of a series of 4-benzyl-5-isopropyl-1H-pyrazol-3-ylß-D-glycopyranosides substituted with novel hydrophilic groups as highly potent inhibitors of sodium glucose co-transporter 1 (SGLT1).

description: Small molecule binding data for protein Sodium/glucose cotransporter 1, Sodium/glucose cotransporter 1 (SGLT1), Sodium/glucose cotransporter 2, and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866, P31639, P53790, and P53792
DOI: 10.7270/q24j0ggf
title: BindingDB Entry 50043002: Discovery and synthesis of novel 4-aminopyrrolopyrimidine Tie-2 kinase inhibitors for the treatment of solid tumors.

description: Small molecule binding data for protein Platelet-derived growth factor receptor beta, Uniprot P09619
DOI: 10.7270/q25140cz
title: BindingDB Entry 50040740: Bicyclization and tethering to albumin yields long-acting peptide antagonists.

description: Small molecule binding data for protein Serum albumin and Urokinase-type plasminogen activator, Uniprot P00749, P02768, and P07724
DOI: 10.7270/q26h4jhh
title: BindingDB Entry 50040252: Synthesis and evaluation of novel heteroaromatic substrates of GABA aminotransferase.

description: Small molecule binding data for protein Gamma-amino-N-butyrate transaminase, Uniprot P50554 and P80147
DOI: 10.7270/q26q1zhd
title: BindingDB Entry 50041968: Structure-based design, synthesis and structure-activity relationships of dibenzosuberyl- and benzoate-substituted tropines as ligands for acetylcholine-binding protein.

description: Small molecule binding data for protein Acetylcholine Binding protein, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P17787, P36544, P43681, P58154, and Q8WSF8
DOI: 10.7270/q27m09d3
title: BindingDB Entry 50043543: Synthesis and in vitro evaluation of a novel radioligand foravß3 integrin receptor imaging: [18F]FPPA-c(RGDfK).

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, and P08648
DOI: 10.7270/q27w6dhq
title: BindingDB Entry 50042498: Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors.

description: Small molecule binding data for protein Dihydrofolate reductase, Thymidylate Synthase (TS), and Thymidylate synthase, Uniprot P00374, P04818, and P0A884
DOI: 10.7270/q28s4r2j
title: BindingDB Entry 50040739: Novel tetrahydropyrido[1,2-a]isoindolone derivatives (valmerins): potent cyclin-dependent kinase/glycogen synthase kinase 3 inhibitors with antiproliferative activities and antitumor effects in human tumor xenografts.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Cyclin-dependent kinase 1, and Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot P06493, Q00535, Q13627, and Q15078
DOI: 10.7270/q2b8596s
title: BindingDB Entry 50040251: Phenethyl nicotinamides, a novel class of Na(V)1.7 channel blockers: structure and activity relationship.

description: Small molecule binding data for protein Sodium channel alpha subunit, Sodium channel protein type IX alpha subunit, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot O08562, Q12809, Q14524, and Q15858
DOI: 10.7270/q2dj5grd
title: BindingDB Entry 50040738: N-[5-(5-fluoropyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutyramide (SEN78702, WYE-308775): a medicinal chemistry effort toward ana7 nicotinic acetylcholine receptor agonist preclinical candidate.

description: Small molecule binding data for protein Cholinergic, Nicotinic Alpha3Beta2, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-7 subunit, Serotonin 3 (5-HT3) receptor, and Voltage-gated potassium channel, Uniprot P32297, P36544, P46098, Q05941, and Q12809
DOI: 10.7270/q2fx7bjx
title: BindingDB Entry 50040250: Discovery of 3H-imidazo[4,5-c]quinolin-4(5H)-ones as potent and selective dipeptidyl peptidase IV (DPP-4) inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Fibroblast activation protein alpha, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10632, P10635, P11509, P11712, P27487, P33261, P81425, Q12809, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2j967hk
title: BindingDB Entry 50040737: Sulfonyl fluoride inhibitors of fatty acid amide hydrolase.

description: Small molecule binding data for protein Cannabinoid receptor and Monoglyceride Lipase (MGL), Uniprot P20272, P47936, and Q99685
DOI: 10.7270/q2kp83c0
title: BindingDB Entry 50041234: Characterization of potent and selective antagonists at postsynaptic 5-HT1A receptors in a series of N4-substituted arylpiperazines.

description: Small molecule binding data for protein Serotonin 1B/1D receptor, Uniprot P28564
DOI: 10.7270/q2ks6t01
title: BindingDB Entry 50043548: 5-Deazaflavin derivatives as inhibitors of p53 ubiquitination by HDM2.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2p2708r
title: BindingDB Entry 50040736: Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P04818
DOI: 10.7270/q2pn96wx
title: BindingDB Entry 50041972: Design and synthesis of novel sulfonamide-containing bradykinin hB(2) receptor antagonists. Synthesis and structure-relationships ofa,a-tetrahydropyranylglycine.

description: Small molecule binding data for protein BDKRB2, Bradykinin B1 receptor, and Bradykinin B2 receptor, Uniprot O70526, P30411, and P46663
DOI: 10.7270/q2qf8tz4
title: BindingDB Entry 50040248: Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases.

description: Small molecule binding data for protein Papain and Papain-like protease (PLpro), Uniprot A7J8L3, P00784, and P0C6U8
DOI: 10.7270/q2qf8v3b
title: BindingDB Entry 50041233: Homologs of histamine as histamine H3 receptor antagonists: a new potent and selective H3 antagonist, 4(5)-(5-aminopentyl)-1H-imidazole.

description: Small molecule binding data for protein HRH3, Uniprot Q9JI35
DOI: 10.7270/q2qj7jqb
title: BindingDB Entry 50043547: Investigation of aryl halides as ketone bioisosteres: refinement of potent and selective inhibitors of human cytochrome P450 19A1 (aromatase).

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2rb75z5
title: BindingDB Entry 50043005: Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part I).

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor H3, Uniprot Q865E1 and Q9QYN8
DOI: 10.7270/q2st7r0s
title: BindingDB Entry 50040735: Discovery and lead optimization of a novel series of CC chemokine receptor 1 (CCR1)-selective piperidine antagonists via parallel synthesis.

description: Small molecule binding data for protein C-C chemokine receptor type 1, C-C chemokine receptor type 2, C-C chemokine receptor type 3, C-C chemokine receptor type 5, Chemokine receptor, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot O95950, P08684, P10635, P11712, P32246, P33261, P41597, P51675, P51677, P51681, and Q12809
DOI: 10.7270/q2td9zkt
title: BindingDB Entry 50041971: Might the observeda(2A)-adrenoreceptor agonism or antagonism of allyphenyline analogues be ascribed to different molecular conformations?

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/q2v69kpv
title: BindingDB Entry 50040247: High-affinity and selective dopamine D3 receptor full agonists.

description: Small molecule binding data for protein Dopamine receptor, Uniprot P19020 and P35462
DOI: 10.7270/q2v69ks6
title: BindingDB Entry 50041232: Selective inhibitors of Candida albicans dihydrofolate reductase: activity and selectivity of 5-(arylthio)-2,4-diaminoquinazolines.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374 and P22906