cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1j6697
title: CCDC 1406138: Experimental Crystal Structure Determination

description: Related Article: Vladimír Kuchtanin, Lucia Kleščíková, Michal Šoral, Róbert Fischer, Zdeňka Růžičková, Erik Rakovský, Ján Moncoľ, Peter Segľa|2016|Polyhedron|117|90|doi:10.1016/j.poly.2016.05.037
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1j66b8
title: CCDC 1406139: Experimental Crystal Structure Determination

description: Related Article: Vladimír Kuchtanin, Lucia Kleščíková, Michal Šoral, Róbert Fischer, Zdeňka Růžičková, Erik Rakovský, Ján Moncoľ, Peter Segľa|2016|Polyhedron|117|90|doi:10.1016/j.poly.2016.05.037
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ln9dy
title: CCDC 1479270: Experimental Crystal Structure Determination

description: Related Article: Illhun Cho|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ln9l4
title: CCDC 1479276: Experimental Crystal Structure Determination

description: Related Article: Zohreh Rashidi Ranjbar|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1j66c9
title: CCDC 1406140: Experimental Crystal Structure Determination

description: Related Article: Vladimír Kuchtanin, Lucia Kleščíková, Michal Šoral, Róbert Fischer, Zdeňka Růžičková, Erik Rakovský, Ján Moncoľ, Peter Segľa|2016|Polyhedron|117|90|doi:10.1016/j.poly.2016.05.037
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1j66db
title: CCDC 1406141: Experimental Crystal Structure Determination

description: Related Article: Vladimír Kuchtanin, Lucia Kleščíková, Michal Šoral, Róbert Fischer, Zdeňka Růžičková, Erik Rakovský, Ján Moncoľ, Peter Segľa|2016|Polyhedron|117|90|doi:10.1016/j.poly.2016.05.037
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1j66fc
title: CCDC 1406142: Experimental Crystal Structure Determination

description: Related Article: Vladimír Kuchtanin, Lucia Kleščíková, Michal Šoral, Róbert Fischer, Zdeňka Růžičková, Erik Rakovský, Ján Moncoľ, Peter Segľa|2016|Polyhedron|117|90|doi:10.1016/j.poly.2016.05.037
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1j66gd
title: CCDC 1406143: Experimental Crystal Structure Determination

description: Related Article: Vladimír Kuchtanin, Lucia Kleščíková, Michal Šoral, Róbert Fischer, Zdeňka Růžičková, Erik Rakovský, Ján Moncoľ, Peter Segľa|2016|Polyhedron|117|90|doi:10.1016/j.poly.2016.05.037
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ln6wb
title: CCDC 1479192: Experimental Crystal Structure Determination

description: Related Article: Yang Chen, Philip Coppens, Elzbieta Trzop|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ln9m5
title: CCDC 1479277: Experimental Crystal Structure Determination

description: Related Article: Zohreh Rashidi Ranjbar|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ln9n6
title: CCDC 1479278: Experimental Crystal Structure Determination

description: Related Article: Zohreh Rashidi Ranjbar|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkkc
title: CCDC 1479523: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkld
title: CCDC 1479524: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkmf
title: CCDC 1479525: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkng
title: CCDC 1479526: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkph
title: CCDC 1479527: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkqj
title: CCDC 1479528: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lnkrk
title: CCDC 1479529: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Roland Meier|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lpxw2
title: CCDC 1480835: Experimental Crystal Structure Determination

description: Related Article: Wei LianTong|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lpzmw
title: CCDC 1480889: Experimental Crystal Structure Determination

description: Related Article: Jichuan Zhang|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lpznx
title: CCDC 1480890: Experimental Crystal Structure Determination

description: Related Article: Jichuan Zhang|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lq0z9
title: CCDC 1480931: Experimental Crystal Structure Determination

description: Related Article: Qingxxiang Yang|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.7270/q20v8ckf
title: BindingDB Entry 50026438: Effect of novel N-cyano-tetrahydro-pyridazine compounds, a class of cathepsin K inhibitors, on the bone resorptive activity of mature osteoclasts.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, and Cathepsin L1, Uniprot P07711, P07858, and P43235
DOI: 10.7270/q21g0m40
title: BindingDB Entry 50028292: 2,4-Diaminopyridine delta-opioid receptor agonists and their associated hERG pharmacology.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P35372, P41143, and Q12809
DOI: 10.7270/q21r6q9h
title: BindingDB Entry 50026412: Xanthones from the botanical dietary supplement mangosteen (Garcinia mangostana) with aromatase inhibitory activity.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q23j3cz9
title: BindingDB Entry 50029579: TBA

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q24749rc
title: BindingDB Entry 50028308: Discovery of substituted 2,4,4-triarylimidazoline derivatives as potent and selective neuropeptide Y Y5 receptor antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot Q15761
DOI: 10.7270/q25d8rxj
title: BindingDB Entry 50030601: Parallel synthesis of potent dopaminergic N-phenyltriazole carboxamides applying a novel click chemistry based phenol linker.

description: Small molecule binding data for protein Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, and P50130
DOI: 10.7270/q25h7g17
title: BindingDB Entry 50026408: Spheciosterol sulfates, PKCzeta inhibitors from a philippine sponge Spheciospongia sp.

description: Small molecule binding data for protein Nuclear factor NF-kappa-B and Protein kinase C (PKC), Uniprot Q04206 and Q05513
DOI: 10.7270/q26973jn
title: BindingDB Entry 50029588: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q28052hj
title: BindingDB Entry 50028307: Inhibitory activity of prostaglandin E2 production by the synthetic 2'-hydroxychalcone analogues: Synthesis and SAR study.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-2 (COX-2), Uniprot P35354 and Q05769
DOI: 10.7270/q2862ghf
title: BindingDB Entry 50030610: New 2-aryloxy-3-phenyl-propanoic acids as peroxisome proliferator-activated receptors alpha/gamma dual agonists with improved potency and reduced adverse effects on skeletal muscle function.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot P37231 and Q07869
DOI: 10.7270/q2959hn8
title: BindingDB Entry 50030600: Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors.

description: Small molecule binding data for protein Fatty acid desaturase 1, Fatty acid desaturase 2, Stearoyl-CoA desaturase 1, and Stearoyl-CoA desaturase 1 (SCD1), Uniprot O00767, P07308, Q920R3, and Q9Z122
DOI: 10.7270/q2cr5t7k
title: BindingDB Entry 50028304: Aryl diketoacids (ADK) selectively inhibit duplex DNA-unwinding activity of SARS coronavirus NTPase/helicase.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO), Uniprot P0C6X7
DOI: 10.7270/q2cz377v
title: BindingDB Entry 50030608: 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.

description: Small molecule binding data for protein Casein kinase I isoform delta, Cyclin-Dependent Kinase 5 (CDK5), Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin receptor, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 1, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Protein kinase C theta type, SRC, Serine/threonine-protein kinase Chk1, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), and c-Jun N-terminal kinase, JNK, Uniprot O14757, O14920, P00533, P04626, P06213, P06239, P06493, P08581, P09619, P10721, P12931, P16234, P22607, P24941, P35968, P45983, P48730, P49841, Q00535, Q02763, Q04759, Q13233, and Q16539
DOI: 10.7270/q2d21xdz
title: BindingDB Entry 50026428: Potency and selectivity of trifluoroacetylimino and pyrazinoylimino nicotinic insecticides and their fit at a unique binding site niche.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-4, Uniprot P09482
DOI: 10.7270/q2f18zhb
title: BindingDB Entry 50026404: The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.

description: Small molecule binding data for protein Trypanothione Reductase (TR) and Trypanothione reductase, Uniprot P28593 and P39040
DOI: 10.7270/q2ft8m0d
title: BindingDB Entry 50029585: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2gt5n57
title: BindingDB Entry 50029574: TBA

description: Small molecule binding data for protein Angiotensin II receptor and Angiotensin II receptor (AT-1) type-1, Uniprot P25095, P29089, and P50052
DOI: 10.7270/q2hd7vjk
title: BindingDB Entry 50028300: Preparation and characterization of N-(3-pyridinyl) spirocyclic diamines as ligands for nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Cholinergic, Nicotinic Alpha3Beta2, Neuronal acetylcholine receptor, and Neuronal acetylcholine receptor subunit alpha-4, Uniprot P09483, P32297, and P43681
DOI: 10.7270/q2hq3zzs
title: BindingDB Entry 50030607: Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 16, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P22894, P39900, P45452, P50281, and P51512
DOI: 10.7270/q2kk9br5
title: BindingDB Entry 50029584: TBA

description: Small molecule binding data for protein Sterol O-acyltransferase, Soat, Uniprot O70536
DOI: 10.7270/q2n58m7v
title: BindingDB Entry 50028297: Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2nc618k
title: BindingDB Entry 50030606: Synthesis and structure-activity relationships of 2-(1,4'-bipiperidin-1'-yl)thiazolopyridine as H3 receptor antagonists.

description: Small molecule binding data for protein HRH3, Histamine H3 receptor, and Histamine receptor (H3), Uniprot P58406, Q9JI35, and Q9Y5N1
DOI: 10.7270/q2nk3dvp
title: BindingDB Entry 50026418: Structure-activity relationships of 7-deaza-6-benzylthioinosine analogues as ligands of Toxoplasma gondii adenosine kinase.

description: Small molecule binding data for protein Adenosine kinase, Uniprot Q9TVW2
DOI: 10.7270/q2qc03gf
title: BindingDB Entry 50029583: TBA

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) and Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit, Uniprot P29702, P49354, P49355, P49356, Q61239, and Q8K2I1
DOI: 10.7270/q2rx9bxd
title: BindingDB Entry 50028296: Exploration of 4,4-disubstituted pyrrolidine-1,2-dicarboxamides as potent, orally active Factor Xa inhibitors with extended duration of action.

description: Small molecule binding data for protein Coagulation factor X and Coagulation factor X/antithrombin III, Uniprot O19045, P00742, and Q63207
DOI: 10.7270/q2s46s0x
title: BindingDB Entry 50030605: alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.

description: Small molecule binding data for protein Aspartic protease PM4, Cathepsin D, HAP protein (Putative aspartic proteinase), Plasmepsin 2, and Plasmepsin I, Uniprot P07339, P39898, and P46925
DOI: 10.7270/q2sb45kd
title: BindingDB Entry 50026415: Synthesis and pharmacological investigation of novel 2-aminothiazole-privileged aporphines.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin (5-HT) receptor, Uniprot P14416, P19327, and P21728
DOI: 10.7270/q2v40v5b
title: BindingDB Entry 50029582: TBA

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2wq03np
title: BindingDB Entry 50028293: Inhibition of Trypanosoma brucei glucose-6-phosphate dehydrogenase by human steroids and their effects on the viability of cultured parasites.

description: Small molecule binding data for protein Glucose 6-phosphate dehydrogenase (G6PD) and Glucose-6-phosphate 1-dehydrogenase, Uniprot P11413
DOI: 10.7270/q2ww7hqx
title: BindingDB Entry 50030604: Synthesis and evaluation of a novel 2-azabicyclo[2.2.2]octane class of long chain fatty acid elongase 6 (ELOVL6) inhibitors.

description: Small molecule binding data for protein Elongation of very long chain fatty acids protein 1, Elongation of very long chain fatty acids protein 2, Elongation of very long chain fatty acids protein 3, Elongation of very long chain fatty acids protein 5, and Elongation of very long chain fatty acids protein 6, Uniprot O35949, Q920L5, Q9BW60, Q9H5J4, Q9HB03, Q9NXB9, and Q9NYP7
DOI: 10.7270/q2x34x89
title: BindingDB Entry 50026413: Biaryl and heteroaryl derivatives of SCH 58261 as potent and selective adenosine A2A receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P29274
DOI: 10.7270/q2zw1kvw
title: BindingDB Entry 50029581: TBA

description: Small molecule binding data for protein Angiotensin II AT2 and Angiotensin II receptor (AT-1) type-1, Uniprot P25095, P29089, and P35351
DOI: 10.7270/q22n527n
title: BindingDB Entry 50029589: TBA

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Retinoid X receptor gamma/retinoic acid receptor alpha, and Retinoid receptor, Uniprot P10276, P10826, P13631, P19793, P28702, and P48443