cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q20z74gv
title: BindingDB Entry 50041012: The discovery of a series of new non-indole 5HT1D agonists

description: Small molecule binding data for protein Dopamine D2 receptor and serotonin 1a receptor and Serotonin (5-HT) receptor, Uniprot P08908 and P28221
DOI: 10.7270/q22n53bd
title: BindingDB Entry 50040074: Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q23x87wf
title: BindingDB Entry 50041748: Design, synthesis and pharmacological evaluation of new 1-[3-(4-arylpiperazin-1-yl)-2-hydroxy-propyl]-3,3-diphenylpyrrolidin-2-one derivatives with antiarrhythmic, antihypertensive, and alpha-adrenolytic activity.

description: Small molecule binding data for protein Adrenergic alpha1B and Alpha-1D adrenergic receptor, Uniprot P23944 and P35368
DOI: 10.7270/q24q7w66
title: BindingDB Entry 50041011: High-affinity FKBP-12 ligands derived from (R)-()-carvone. Synthesis and evaluation of FK506 pyranose ring replacements

description: Small molecule binding data for protein Mammalian target of Rapamycin (mTORC1), Uniprot P62942
DOI: 10.7270/q26974pv
title: BindingDB Entry 50040492: Selective mode of action of guanidine-containing non-peptides at human NPFF receptors.

description: Small molecule binding data for protein NPFF2 and Neuropeptide FF receptor 1, Uniprot Q9GZQ6 and Q9Y5X5
DOI: 10.7270/q26d5v2r
title: BindingDB Entry 50040073: Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q27p90m5
title: BindingDB Entry 50041747: Antiplasmodial activity of [(aryl)arylsulfanylmethyl]Pyridine.

description: Small molecule binding data for protein Histidine-rich protein, Uniprot P05227
DOI: 10.7270/q29z961d
title: BindingDB Entry 50040491: Nanomolar potency and metabolically stable inhibitors of kidney urea transporter UT-B.

description: Small molecule binding data for protein Urea transporter 1, Uniprot Q8VHL0
DOI: 10.7270/q2b56kth
title: BindingDB Entry 50040072: Targeted kinase selectivity from kinase profiling data.

description: Small molecule binding data for protein CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase), Cyclin-dependent kinase 1, Epidermal growth factor receptor, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, SRC, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase Kit (Kit), Uniprot O00311, P00519, P00533, P06239, P06493, P07333, P10721, and P16234
DOI: 10.7270/q2cf9rbh
title: BindingDB Entry 50041746: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4 (5-HT4), Uniprot Q13639
DOI: 10.7270/q2d79ckb
title: BindingDB Entry 50041009: Non-peptide neuropeptide y antagonists derived from the histamine H2 agonist arpromidine: Role of the guanidine group

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q2fq9xqw
title: BindingDB Entry 50040490: Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.

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, C-RAF, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Histamine H1 receptor, Platelet-derived growth factor receptor beta, Serotonin (5-HT) receptor, Serotonin receptor (2b and 2c), Tyrosine-protein kinase Kit (Kit), Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P04049, P08908, P09619, P10721, P17948, P28223, P28335, P34969, P35367, P35916, P35968, P41595, P47898, and P50406
DOI: 10.7270/q2fx7bhg
title: BindingDB Entry 50040071: Evolution of a Compact Photoprobe for the Dopamine Transporter Based on (±)-threo-Methylphenidate.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter, Uniprot Q01959
DOI: 10.7270/q2kh0pf5
title: BindingDB Entry 50040489: Diphenylpyridylethanamine (DPPE) derivatives as cholesteryl ester transfer protein (CETP) inhibitors.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2q81f6b
title: BindingDB Entry 50040488: Molecular determinants of selectivity and efficacy at the dopamine D3 receptor.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2qr4zcr
title: BindingDB Entry 50041751: Bioactive conformation analysis of cyclic imides as protoporphyrinogen oxidase inhibitor by combining DFT calculations, QSAR and molecular dynamic simulations.

description: Small molecule binding data for protein Protoporphyrinogen oxidase, Uniprot P32397
DOI: 10.7270/q2rf5w68
title: BindingDB Entry 50041014: Synthesis, biological in vitro evaluation and stereoselectivity of ondansetron analogues: novel 5-HT2A receptor antagonists

description: Small molecule binding data for protein Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), Uniprot P14842
DOI: 10.7270/q2t43v4q
title: BindingDB Entry 50040076: Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P14780, and P50281
DOI: 10.7270/q2vh5q3g
title: BindingDB Entry 50041750: Diamine-based human histamine H3 receptor antagonists: (4-aminobutyn-1-yl)benzylamines.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H3 receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P35367, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2w66mz1
title: BindingDB Entry 50041013: Penem inhibitors of bacterial signal peptidase

description: Small molecule binding data for protein Signal peptidase I, Uniprot P00803
DOI: 10.5281/zenodo.3970613
title: Code and data for Assembly rules of helminth parasite communities in grey mullets: combining components of diversity

description: Raw data analysed and a step-by-step summary of the R functions and packages used in Llopis-Belenguer, C., Pavoine, S., Blasco-Costa, I., Antonio Balbuena, J., 2020. Assembly rules of helminth parasite communities in grey mullets: combining components of diversity. International Journal for Parasitology. DOI: 10.1016/j.ijpara.2020.06.006
description: {"references": ["Raw data analysed and a step-by-step summary of the R functions and packages used in Llopis-Belenguer, C., Pavoine, S., Blasco-Costa, I., Antonio Balbuena, J., 2020. Assembly rules of helminth parasite communities in grey mullets: combining components of diversity. International Journal for Parasitology. DOI: 10.1016/j.ijpara.2020.06.006"]}
DOI: 10.7270/q22j6d00
title: BindingDB Entry 50040493: Azapeptide analogues of the growth hormone releasing peptide 6 as cluster of differentiation 36 receptor ligands with reduced affinity for the growth hormone secretagogue receptor 1a.

description: Small molecule binding data for protein Ghrelin receptor and Platelet glycoprotein 4, Uniprot Q07969 and Q92847
DOI: 10.7270/q2319x48
title: BindingDB Entry 50041756: Bis(dialkylaminethiocarbonyl)disulfides as potent and selective monoglyceride lipase inhibitors.

description: Small molecule binding data for protein Aldehyde dehydrogenase, Fatty-acid amide hydrolase 1 (FAAH), and Monoglyceride Lipase (MGL), Uniprot O00519, P11884, and Q99685
DOI: 10.7270/q23r0v2c
title: BindingDB Entry 50041020: The design and synthesis of orally active short duration spiroindane growth hormone secretagogues

description: Small molecule binding data for protein Growth hormone-releasing hormone receptor, Uniprot Q02644
DOI: 10.7270/q29w0gsg
title: BindingDB Entry 50042270: 1,3-diaminopropan-2-ol sulfonamides as potent and selective inhibitors of the glycine transporter type 1.

description: Small molecule binding data for protein Glycine transporter 1, Uniprot P48067
DOI: 10.7270/q2bg2q6p
title: BindingDB Entry 50041754: Application of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT1A serotonin receptor.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Serotonin (5-HT) receptor, Uniprot P08908 and P14842
DOI: 10.7270/q2c82bgz
title: BindingDB Entry 50041017: Diphenylmethyl ethers: synthesis and histamine H3-receptor antagonist in vitro and in vivo activity

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9QYN8
DOI: 10.7270/q2dz09cn
title: BindingDB Entry 50040079: Biotin analogues with antibacterial activity are potent inhibitors of biotin protein ligase.

description: Small molecule binding data for protein Biotin--protein ligase, Uniprot P50747
DOI: 10.7270/q2fn17gr
title: BindingDB Entry 50042269: Arylsulfonamides as a new class of cannabinoid CB1 receptor ligands: identification of a lead and initial SAR studies.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P21554
DOI: 10.7270/q2g73fzf
title: BindingDB Entry 50041753: Discovery of selective nonpeptidergic neuropeptide FF2 receptor agonists.

description: Small molecule binding data for protein NPFF2 and Neuropeptide FF receptor 1, Uniprot Q9GZQ6 and Q9Y5X5
DOI: 10.7270/q2h13357
title: BindingDB Entry 50041016: Synthesis and NK-2 antagonist effect of 1,6-diphenyl-pyrazolo [3,4-d]-thiazolo[3,2-a]4H-pyrimidin-4-one

description: Small molecule binding data for protein Neurokinin 2 receptor, Uniprot Q64077
DOI: 10.7270/q2jh3n9s
title: BindingDB Entry 50040497: Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.

description: Small molecule binding data for protein Egl nine homolog 1, Gamma-butyrobetaine dioxygenase, Histone Lysine Demethylase, Hypoxia-inducible factor 1 (FIH), Lysine-specific demethylase 2A, Lysine-specific demethylase 5C, Lysine-specific demethylase 6B (KDM6B), Lysine-specific demethylase 7, and Lysine-specific demethylase 7B (KDM7B), Uniprot B2RXH2, I3VM53, O15054, O75936, P41229, Q6ZMT4, Q9GZT9, Q9NWT6, Q9UPP1, and Q9Y2K7
DOI: 10.7270/q2m046p5
title: BindingDB Entry 50041752: Synthesis and binding affinity of potential atypical antipsychotics with the tetrahydroquinazolinone motif.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Dopamine D1 and D2 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, P28223, P28335, and P35462
DOI: 10.7270/q2mp54gx
title: BindingDB Entry 50041015: Dual metalloprotease inhibitors.v. Utilization of bicyclic azepinonethiazolidines and azepinonetetrahydrothiazines in constrained peptidomimetics of mercaptoacyl dipeptides

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neutral Endopeptidase (NEP), Uniprot P07861 and P47820
DOI: 10.7270/q2p84d1h
title: BindingDB Entry 50040496: Free fatty acid receptor 1 (FFA1/GPR40) agonists: mesylpropoxy appendage lowers lipophilicity and improves ADME properties.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Free fatty acid receptor 4, Uniprot O14842, Q5NUL3, and Q8K3T4
DOI: 10.7270/q2pc33ft
title: BindingDB Entry 50040077: Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, Q96PD7, and Q9Z2A7
DOI: 10.7270/q2xs5wjr
title: BindingDB Entry 50040494: 1,2,3-Triazole-containing uracil derivatives with excellent pharmacokinetics as a novel class of potent human deoxyuridine triphosphatase inhibitors.

description: Small molecule binding data for protein Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase), Uniprot P33316
DOI: 10.7270/q2xw4kvq
title: BindingDB Entry 50040075: HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.

description: Small molecule binding data for protein Dehydrosqualene synthase, Uniprot A9JQL9
DOI: 10.7270/q200038f
title: BindingDB Entry 50041021: A novel super-potent neurokinin A receptor antagonist containing dehydroalanine.

description: Small molecule binding data for protein TACR2, Uniprot P16610
DOI: 10.7270/q21j9bx3
title: BindingDB Entry 50040501: Orally active adenosine A(1) receptor agonists with antinociceptive effects in mice.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q21n825k
title: BindingDB Entry 50040082: Design of barbiturate-nitrate hybrids that inhibit MMP-9 activity and secretion.

description: Small molecule binding data for protein Collagenase, Uniprot P08253 and P14780
DOI: 10.7270/q22f7prh
title: BindingDB Entry 50042272: Novel and potent 3-(2,3-dichlorophenyl)-4-(benzyl)-4H-1,2,4-triazole P2X7 antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q25b03mx
title: BindingDB Entry 50040500: Allyl m-trifluoromethyldiazirine mephobarbital: an unusually potent enantioselective and photoreactive barbiturate general anesthetic.

description: Small molecule binding data for protein GABA A receptor alpha-1/beta-1/gamma-2 and GABA A receptor alpha-4/beta-3/gamma-2, Uniprot P14867 and P28472
DOI: 10.7270/q25d8swh
title: BindingDB Entry 50040081: Allosteric modulation of seven transmembrane spanning receptors: theory, practice, and opportunities for central nervous system drug discovery.

description: Small molecule binding data for protein GRM7, GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, and metabotropic glutamate 1c, Uniprot O00222, O15303, P08912, P11229, P20309, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q26q1zgz
title: BindingDB Entry 50041755: Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2alpha (HRI) kinase.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 2-alpha kinase 1, Uniprot Q9BQI3
DOI: 10.7270/q2930v8c
title: BindingDB Entry 50040499: Synthesis and evaluation of aryl-naloxamide opiate analgesics targeting truncated exon 11-associatedµ opioid receptor (MOR-1) splice variants.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor (KOR), and Mu-type opioid receptor, Uniprot P32300, P33534, and P42866
DOI: 10.7270/q2959jm7
title: BindingDB Entry 50040080: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins.

description: Small molecule binding data for protein CAMK2B, Uniprot Q13554
DOI: 10.7270/q2dr2wnz
title: BindingDB Entry 50040498: Virtual screening identifies novel sulfonamide inhibitors of ecto-5'-nucleotidase.

description: Small molecule binding data for protein Ecto-5'-nucleotidase (e5'NT), Uniprot P21588
DOI: 10.7270/q2jd4z2q
title: BindingDB Entry 50042276: From ATP to AZD6140: the discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis.

description: Small molecule binding data for protein Purinergic receptor P2Y12, Uniprot Q9H244
DOI: 10.7270/q2jq122x
title: BindingDB Entry 50040078: Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/Nuclear receptor corepressor 2, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q9UBN7, and Q9Y618
DOI: 10.7270/q2k075hb
title: BindingDB Entry 50041760: Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2ks6sq1
title: BindingDB Entry 50041024: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships.

description: Small molecule binding data for protein Dopamine D2 receptor and serotonin 1a receptor and Serotonin 1 (5-HT1) receptor, Uniprot P08908 and P19327
DOI: 10.7270/q2n87bwq
title: BindingDB Entry 50040504: Investigations on the 1-(2-biphenyl)piperazine motif: identification of new potent and selective ligands for the serotonin(7) (5-HT(7)) receptor with agonist or antagonist action in vitro or ex vivo.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, and Serotonin (5-HT) receptor, Uniprot P08908, P32305, and P34969
DOI: 10.7270/q2pr7x7c
title: BindingDB Entry 50041759: Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Voltage-gated potassium channel, Uniprot P14416, P19020, P21917, P28223, P35462, and Q12809
DOI: 10.7270/q2qf8v2w
title: BindingDB Entry 50041023: Neuronorm is a potent and water soluble neurokinin A receptor antagonist.

description: Small molecule binding data for protein Neurokinin 2 receptor and TACR2, Uniprot P16610 and Q64077
DOI: 10.7270/q2sx6fhf
title: BindingDB Entry 50042274: SAR of the arylpiperazine moiety of obeline somatostatin sst1 receptor antagonists.

description: Small molecule binding data for protein SSTR1 and SSTR2, Uniprot P28646 and P30680
DOI: 10.7270/q2t154s8
title: BindingDB Entry 50040495: A new class of highly potent and selective endomorphin-1 analogues containinga-methylene-ß-aminopropanoic acids (map).

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P35372, P41143, and P97266
DOI: 10.7270/q2th8nzp
title: BindingDB Entry 50041758: Increasing selectivity of CC chemokine receptor 8 antagonists by engineering nondesolvation related interactions with the intended and off-target binding sites.

description: Small molecule binding data for protein C-C chemokine receptor type 8 and Voltage-gated potassium channel, Uniprot P51685 and Q12809
DOI: 10.7270/q2v69krr
title: BindingDB Entry 50041022: Search for alpha 1-adrenoceptor subtypes selective antagonists: design, synthesis and biological activity of cystazosin, an alpha 1D-adrenoceptor antagonist.

description: Small molecule binding data for protein Adrenergic receptor alpha-2, Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), and Dopamine D2 receptor and serotonin 1a receptor, Uniprot P08908, P19328, P22086, P22909, and P61169
DOI: 10.7270/q2ws8vcx
title: BindingDB Entry 50040502: 7-Oxo-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamides as selective CB(2) cannabinoid receptor ligands: structural investigations around a novel class of full 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/q2xp7675
title: BindingDB Entry 50042273: Identification and SAR of potent and selective non-peptide obeline somatostatin sst1 receptor antagonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1D, Beta-1 adrenergic receptor, Dopamine receptors; D2 & D4, SSTR1, SSTR2, and Somatostatin receptor, Uniprot P08588, P21917, P28221, P28646, P30680, P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2z89dpd
title: BindingDB Entry 50041757: Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G-protein coupled bile acid receptor 1, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, Q80T02, and Q8TDU6
DOI: 10.7270/q21g0nk7
title: BindingDB Entry 50042280: The effect of 5-substitution in the pyrimidine ring of dUMP on the interaction with thymidylate synthase: molecular modeling and QSAR.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q2222w1w
title: BindingDB Entry 50041764: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists I: discovery of CCKR1 selectivity in a previously CCKR2-selective lead series.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P32238 and P32239
DOI: 10.7270/q22r3st7
title: BindingDB Entry 50041028: Synthesis and evaluation of hapalosin and analogs as MDR-reversing agents.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2571dbd
title: BindingDB Entry 50042279: Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P14780, P22894, P39900, P45452, and P50281
DOI: 10.7270/q26h4jkd
title: BindingDB Entry 50041027: Butyrophenone analogues in the carbazole series: synthesis and determination of affinities at D2 and 5-HT2A receptors.

description: Small molecule binding data for protein Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), Uniprot P14842 and P61169
DOI: 10.7270/q2833t5f
title: BindingDB Entry 50040507: (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, and Transcriptional regulator ERG, Uniprot P07711, P07858, P11308, P25774, P43235, and Q3ZKN1
DOI: 10.7270/q290253k
title: BindingDB Entry 50042278: SAR studies of 1,5-diarylpyrazole-based CCK1 receptor antagonists.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P32238
DOI: 10.7270/q29g5p29
title: BindingDB Entry 50041762: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Uniprot Q00535 and Q15078
DOI: 10.7270/q2b85994
title: BindingDB Entry 50041026: Discovery of an imidazopyridine-containing 1,4-benzodiazepine nonpeptide vitronectin receptor (alpha v beta 3) antagonist with efficacy in a restenosis model.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756