cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2ms3w6q
title: BindingDB Entry 50000548: Challenges in the development of an M

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M2 and M5, and Sodium-dependent dopamine transporter, Uniprot A4D1Q0, C1ID52, P05177, P08172, P08173, P08684, P10635, P11712, P33261, Q01959, Q6GRK0, and S5RV20
DOI: 10.7270/q2c82crz
title: BindingDB Entry 50000550: Screening for bioactive natural products from a 67-compound library of Glycyrrhiza inflata.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot A8K3M3 and P18031
DOI: 10.7270/q2h134gp
title: BindingDB Entry 50000549: Novel delta opioid receptor agonists with oxazatricyclodecane structure showing potent agonistic activities.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot A2AD37, P32300, P35372, P41143, P41144, P41145, and P42866
DOI: 10.7270/q27h1n1n
title: BindingDB Entry 50000552: Synthesis of novel acyl selenoureido benzensulfonamides as carbonic anhydrase I, II, VII and IX inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, P00915, P00918, P43166, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q23r0w9x
title: BindingDB Entry 50000555: Discovery of a novel aminopyrazine series as selective PI3Kα inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4-kinase beta, Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha, Phosphoinositide 3-kinase regulatory subunit 4, and Vacuolar protein sorting-associated protein 35, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, P42345, P48426, P48736, Q96QK1, Q99570, and Q9UBF8
DOI: 10.7270/q20004h0
title: BindingDB Entry 50000556: Synthesis and molecular docking study of some 5,6-dichloro-2-cyclopropyl-1H-benzimidazole derivatives bearing triazole, oxadiazole, and imine functionalities as potent inhibitors of urease.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2v69n15
title: BindingDB Entry 50000557: Synthesis and biological evaluation of kresoxim-methyl analogues as novel inhibitors of hypoxia-inducible factor (HIF)-1 accumulation in cancer cells.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot D0VY79 and Q16665
DOI: 10.7270/q2ks6v0f
title: BindingDB Entry 50000561: Discovery of BI 135585, an in vivo efficacious oxazinanone-based 11β hydroxysteroid dehydrogenase type 1 inhibitor.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase 2, 3-beta-hydroxysteroid dehydrogenase/delta 5--&gt;4-isomerase type II, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Estradiol 17-beta-dehydrogenase 1, Melanin-concentrating hormone receptor 2/HERG, and Nuclear receptor subfamily 1 group I member 2, Uniprot A0A024R0F9, A0A090N8Q0, C1ID52, O75469, P08684, P10635, P11712, P14061, P26439, P28845, P80365, Q12809, Q6GRK0, S5RV20, and X5D2L1
DOI: 10.7270/q2g1638d
title: BindingDB Entry 50000562: Optimization and biological evaluation of 2-aminobenzothiazole derivatives as Aurora B kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B, Uniprot Q96GD4
DOI: 10.7270/q2qj7kqr
title: BindingDB Entry 50000558: Identification and preliminary structure-activity relationships of 1-Indanone derivatives as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot A0A348GSI3 and P14902
DOI: 10.7270/q26h4ktz
title: BindingDB Entry 50000566: 2-Aminomethylthieno[3,2-d]pyrimidin-4(3H)-ones bearing 3-methylpyrazole hinge binding moiety: Highly potent, selective, and time-dependent inhibitors of Cdc7 kinase.

description: Small molecule binding data for protein Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase, CDK2/CycE, Cell division cycle 7-related protein kinase, and Rho-associated protein kinase 1, Uniprot A0A024RB77, A0A384MTU6, O00311, P24864, P24941, Q13464, and Q9UBU7
DOI: 10.7270/q2b85bjp
title: BindingDB Entry 50000563: The impact of the halogen bonding on D

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, and D(2) dopamine receptor, Uniprot A0A024R3C5, P08908, P14416, P28223, P34969, P50406, and Q5ZGX3
DOI: 10.7270/q22r3v3n
title: BindingDB Entry 50000567: Carboxylated aurone derivatives as potent inhibitors of xanthine oxidase.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2z03bmn
title: BindingDB Entry 50000568: Novel sulfonamide-containing 2-indolinones that selectively inhibit tumor-associated alpha carbonic anhydrases.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase-related protein 11, and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O75493, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2pk0jkx
title: BindingDB Entry 50000571: Design of potent dipeptidyl peptidase IV (DPP-4) inhibitors by employing a strategy to form a salt bridge with Lys554.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 and Dipeptidyl peptidase VIII, Uniprot A0A024R5Z6, P27487, and Q6V1X1
DOI: 10.7270/q2tb199n
title: BindingDB Entry 50000569: Synthesis and evaluation of novel dual BRD4/HDAC inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2js9svn
title: BindingDB Entry 50000573: Design, synthesis, in silico and in vitro evaluation of thiophene derivatives: A potent tyrosine phosphatase 1B inhibitor and anticancer activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot A8K3M3 and P18031
DOI: 10.7270/q29889d9
title: BindingDB Entry 50000575: A new type of pharmacological chaperone for G

description: Small molecule binding data for protein Beta-galactosidase, Beta-galactosidase/Glucosylceramidase, and Lysosomal acid glucosylceramidase, Uniprot A0A068F658, P04062, P16278, and Q58D55
DOI: 10.7270/q2f19241
title: BindingDB Entry 50000574: A potent and selective natriuretic peptide receptor-3 blocker 11-mer peptide created by hybridization of musclin and atrial natriuretic peptide.

description: Small molecule binding data for protein Atrial natriuretic peptide receptor and Atrial natriuretic peptide receptor 3, Uniprot A0A140VJE6, P16066, and P17342
DOI: 10.7270/q21r6szv
title: BindingDB Entry 50000577: Novel 3-fluoro-6-methoxyquinoline derivatives as inhibitors of bacterial DNA gyrase and topoisomerase IV.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor 2/HERG, Uniprot A0A090N8Q0 and Q12809
DOI: 10.7270/q25h7jpk
title: BindingDB Entry 50000576: Design and synthesis of novelδ opioid receptor agonists with an azatricyclodecane skeleton for improving blood-brain barrier penetration.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2x350wk
title: BindingDB Entry 50000579: Synthesis and biological evaluation of steroidal derivatives bearing a small ring as vitamin D receptor agonists.

description: Small molecule binding data for protein Vitamin D3 receptor, Uniprot F1D8P8 and P11473
DOI: 10.7270/q2sb486q
title: BindingDB Entry 50000580: 3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2nk3hg0
title: BindingDB Entry 50000582: Synthesis, potential anti-inflammatory and analgesic activities study of (S)-N-substituted-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxamides.

description: Small molecule binding data for protein Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2ht2rsq
title: BindingDB Entry 50000583: Design and synthesis of a novel inhibitor of T. Viride chitinase through an in silico target fishing protocol.

description: Small molecule binding data for protein Chitinase, Uniprot D2K848
DOI: 10.7270/q28918bc
title: BindingDB Entry 50000585: Discovery of the selective sphingomyelin synthase 2 inhibitors with the novel structure of oxazolopyridine.

description: Small molecule binding data for protein Phosphatidylcholine:ceramide cholinephosphotransferase 2, Uniprot A0A024RDH4 and Q8NHU3
DOI: 10.7270/q2d22123
title: BindingDB Entry 50000584: SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A, and Nicotinamide phosphoribosyltransferase, Uniprot A0A024R718, P08684, P11712, P43490, Q6GRK0, and S5RV20
DOI: 10.7270/q24m96zh
title: BindingDB Entry 50000587: Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot P35991 and Q06187
DOI: 10.7270/q20v8g76
title: BindingDB Entry 50000588: Study of

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2w37zs8
title: BindingDB Entry 50000590: Antiobesity Effect of a Short-Length Peptide YY Analogue after Continuous Administration in Mice.

description: Small molecule binding data for protein Neuropeptide Y receptor type 2, Uniprot P49146
DOI: 10.7270/q2rb772b
title: BindingDB Entry 50000591: F-NMR-Based Dual-Site Reporter Assay for the Discovery and Distinction of Catalytic and Allosteric Kinase Inhibitors.

description: Small molecule binding data for protein Bcr-Abl and Tyrosine-protein kinase ABL1, Uniprot A0A024R8E2, P00519, and P11274
DOI: 10.7270/q2c24zwg
title: BindingDB Entry 50000597: Discovery of a Series of Indazole TRPA1 Antagonists.

description: Small molecule binding data for protein Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2, KCNQ (Kv7) potassium channel, Melanin-concentrating hormone receptor 2/HERG, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 9 subunit alpha, Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily V member 1, and Voltage-gated potassium channel subunit Kv7.2/Kv7.3, Uniprot A0A090N8Q0, O43525, O43526, O75762, O95340, P51787, Q12809, Q14524, Q15858, Q5TB52, Q6RI86, and Q8NER1
DOI: 10.7270/q2gt5qmw
title: BindingDB Entry 50000595: Photoaffinity Labeling of the Human A

description: Small molecule binding data for protein Adenosine receptor A2a and Adenosine receptor A2a and A3, Uniprot P29274, P30543, and X5DNB4
DOI: 10.7270/q2mk6gbm
title: BindingDB Entry 50000594: Systematic Data Mining Reveals Synergistic H3R/MCHR1 Ligands.

description: Small molecule binding data for protein Histamine receptor (H3 and H4), Uniprot Q9Y5N1
DOI: 10.7270/q23n25tp
title: BindingDB Entry 50000599: Seeking (and Finding) Biased Ligands of the Kappa Opioid Receptor.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q27d2xj1
title: BindingDB Entry 50000598: Development of Quinazoline/Pyrimidine-2,4(1

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q2zw1pcv
title: BindingDB Entry 50000600: Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta and Mitogen-activated protein kinase 1, Uniprot P28482, P49841, Q1HBJ4, and Q6FI27
DOI: 10.7270/q2qc05zj
title: BindingDB Entry 50000604: Development of Potent Myostatin Inhibitory Peptides through Hydrophobic Residue-Directed Structural Modification.

description: Small molecule binding data for protein Growth/differentiation factor 8, Uniprot O14793 and Q53S46
DOI: 10.7270/q2kk9f7p
title: BindingDB Entry 50000605: Improving Metabolic Stability with Deuterium: The Discovery of BMT-052, a Pan-genotypic HCV NS5B Polymerase Inhibitor.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684 and Q6GRK0
DOI: 10.7270/q2v40xnf
title: BindingDB Entry 50000602: Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d.

description: Small molecule binding data for protein GTPase KRas, Uniprot L7RSL8 and P01116
DOI: 10.7270/q26d5wgj
title: BindingDB Entry 50000610: Fragment-to-Lead Medicinal Chemistry Publications in 2016.

description: Small molecule binding data for protein Casein kinase II subunit alpha, Uniprot P68400
DOI: 10.7270/q2b56n68
title: BindingDB Entry 50000609: Natural-Products-Inspired Use of the gem-Dimethyl Group in Medicinal Chemistry.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, 72 kDa type IV collagenase, Cholinesterases, Collagenase, Collagenase 3, D(2) dopamine receptor, HMG-CoA reductase, Insulin-like growth factor I receptor, Integrin alpha-IIb/beta-3, Interstitial collagenase, Matrix metalloproteinase 7, Matrix metalloproteinase-9, Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha, Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta, Retinoic acid receptor RXR-alpha/gamma, Retinoic acid receptor alpha/Retinoid X receptor alpha, Retinoid X receptor gamma/retinoic acid receptor alpha, Retinoid receptor, Sodium/hydrogen exchanger 1, Stromelysin-1, Thrombin, and Thrombin and coagulation factor X, Uniprot A0A024R3C5, A0A024R6R4, A0A024RAP2, A8K3H3, F1D8Q5, F1D8Q7, P00734, P00735, P03956, P04035, P05106, P08069, P08253, P08254, P08514, P08908, P09237, P10276, P10826, P13631, P14416, P14780, P19634, P19793, P22303, P22894, P28223, P28335, P28702, P45452, P48443, Q5STP9, Q5ZGX3, and Q6I9R7
DOI: 10.7270/q2ft8pgh
title: BindingDB Entry 50000606: Class I HDAC Inhibitors: Potential New Epigenetic Therapeutics for Alcohol Use Disorder (AUD).

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 10, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/NCoR1, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, and Histone deacetylase 8, Uniprot A0A024QZ26, A0A024RD47, O15379, O75376, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UQL6, and Q9Y618
DOI: 10.7270/q22n54r6
title: BindingDB Entry 50000611: Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.

description: Small molecule binding data for protein S-adenosylmethionine decarboxylase 1, Uniprot P17707
DOI: 10.7270/q2t43wjh
title: BindingDB Entry 50000613: Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPaseα4 Isoform Inhibitors for Male Contraception.

description: Small molecule binding data for protein N+/K+ ATPase alpha-4/beta-3, Na+/K+ ATPase alpha-1/beta-1, Na+/K+ ATPase alpha-2/beta-1, Na+/K+ ATPase alpha-3/beta-1, and Potassium voltage-gated channel subfamily H member 2, Uniprot A0A090N8Q0, P06685, P06686, P06687, P07340, Q12809, Q63377, and Q64541
DOI: 10.7270/q2pc34t5
title: BindingDB Entry 50000615: Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor 2/HERG and Serine/threonine-protein kinase Chk1/2, Uniprot A0A090N8Q0, O14757, and Q12809
DOI: 10.7270/q2jm2d3v
title: BindingDB Entry 50000616: Discovery of 1,5-Diphenylpyrazole-3-Carboxamide Derivatives as Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Fatty-acid amide hydrolase 1, Monoacylglycerol lipase ABHD12, Monoacylglycerol lipase ABHD6, Monoglyceride lipase, and Monoglyceride lipase (MGL), Uniprot A0A024R323, A0A024RAH7, O00519, P21554, P34972, Q8N2K0, Q8R431, Q99685, Q9BV23, and S5TLS4
DOI: 10.7270/q2xw4n8x
title: BindingDB Entry 50000612: Inhibitors of HIV-1 Attachment: The Discovery and Development of Temsavir and its Prodrug Fostemsavir.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684 and Q6GRK0
DOI: 10.7270/q2dz0br0
title: BindingDB Entry 50000617: Increased Potency and Selectivity for Group III Metabotropic Glutamate Receptor Agonists Binding at Dual sites.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 1/zeta 1, Ionotropic glutamate receptor NMDA1/2B, Metabotropic glutamate receptor, Metabotropic glutamate receptor 4, Metabotropic glutamate receptor 6, Metabotropic glutamate receptor 7, and Metabotropic glutamate receptor 8, Uniprot A1L4F9, O00222, O15303, P31423, P35439, Q00959, Q01097, Q14831, Q14833, and Q68EF4
DOI: 10.7270/q25d8v9q
title: BindingDB Entry 50000619: Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.

description: Small molecule binding data for protein MutT homolog 1 protein (MTH1), Uniprot P36639
DOI: 10.7270/q2959m1f
title: BindingDB Entry 50000618: Discovery of Novel 1-Cyclopentenyl-3-phenylureas as Selective, Brain Penetrant, and Orally Bioavailable CXCR2 Antagonists.

description: Small molecule binding data for protein Atypical chemokine receptor 2, C-C chemokine receptor type 2, C-C chemokine receptor type 3, C-C chemokine receptor type 4, C-C chemokine receptor type 6 (CCR6), C-C chemokine receptor type 7, C-C chemokine receptor type 8, C-C chemokine receptor type 9, C-X-C chemokine receptor type 2, C-X-C chemokine receptor type 4, C-X-C chemokine receptor type 5 isoform 1, C-X-C chemokine receptor type 6, C-X-C chemokine receptor type 7 (CXCR7), C-X3-C chemokine receptor 1, CCR5/mu opioid receptor complex, G-protein coupled receptor ChemR23, Interleukin-8 receptors, CXCR1/CXCR2, and chemokine (C-X-C motif) receptor 3, Uniprot A0N0N3, A0N0Q0, A0N0Q1, A0N0R2, A1LP82, A1LPE5, O00574, O00590, P25024, P25025, P25106, P32248, P32302, P35343, P41597, P49238, P49682, P51677, P51679, P51681, P51684, P51685, P51686, P61073, Q38L21, Q53PC4, and Q99788
DOI: 10.7270/q21n83kc
title: BindingDB Entry 50000620: Structure-Activity Relationship in Monosaccharide-Based Toll-Like Receptor 4 (TLR4) Antagonists.

description: Small molecule binding data for protein Lymphocyte antigen 96 and Toll-like receptor 4, Uniprot O00206 and Q9Y6Y9
DOI: 10.7270/q2ww7m4j
title: BindingDB Entry 50000621: Potent and Selective Inhibitors of Human Sirtuin 5.

description: Small molecule binding data for protein NAD-dependent protein deacylase sirtuin-5, mitochondrial, Uniprot A0A024R012 and Q9NXA8
DOI: 10.7270/q2s46vd4
title: BindingDB Entry 50000622: Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation.

description: Small molecule binding data for protein Cannabinoid receptor 1, Fatty-acid amide hydrolase 1, Melanin-concentrating hormone receptor 2/HERG, and Monoglyceride lipase, Uniprot A0A090N8Q0, O00519, P21554, Q12809, Q99685, and S5TLS4
DOI: 10.7270/q2hq42bb
title: BindingDB Entry 50000628: 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343 and X5DNX5
DOI: 10.7270/q2nc63nb
title: BindingDB Entry 50000627: Design, Synthesis, and Structure-Activity Relationship Study of 2-Oxo-3,4-dihydropyrimido[4,5- d]pyrimidines as New Colony Stimulating Factor 1 Receptor (CSF1R) Kinase Inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, Tyrosine-protein kinase receptor FLT3, and VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Uniprot P00533, P07333, P09619, P10721, P11362, P16234, P21802, P22455, P22607, and P36888
DOI: 10.7270/q2cz39mm
title: BindingDB Entry 50000629: Discovery of Novel KRAS-PDEδ Inhibitors by Fragment-Based Drug Design.

description: Small molecule binding data for protein Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, Uniprot O43924 and Q6IB24
DOI: 10.7270/q24f1t5w
title: BindingDB Entry 50000631: Further Developments of the Phenyl-Pyrrolyl Pentane Series of Nonsteroidal Vitamin D Receptor Modulators as Anticancer Agents.

description: Small molecule binding data for protein Vitamin D3 receptor, Uniprot F1D8P8 and P11473
DOI: 10.7270/q2862jw6
title: BindingDB Entry 50000630: Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema.

description: Small molecule binding data for protein Cathepsin G, Coagulation factor XI, Coagulation factor XII, Complement C1s, Granzyme B, Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein, Kallikrein 1, Kallikrein 14, Kallikrein 2, Kallikrein 5, Kallikrein 6, Kallikrein-12, Kallikrein-13, Plasma kallikrein, Plasminogen, Thrombin and coagulation factor VII, Thrombin and coagulation factor X, and Vitamin K-dependent protein C, Uniprot A0A024R4J4, A0A024R4J8, A0A024R4M4, A0A024R4M6, A0A1R3UCD2, A0A1R3UCE9, O97506, P00734, P00742, P00747, P00748, P03951, P03952, P04070, P06870, P08311, P08709, P09871, P10144, P14272, P20151, P26262, Q5JVE7, Q92876, Q9P0G3, Q9UKR0, Q9UKR3, Q9Y337, and Q9Y5Y6
DOI: 10.7270/q20p12fj
title: BindingDB Entry 50000632: Methylpyrrole inhibitors of BET bromodomains.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2A, Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain and PHD finger-containing protein 3, Bromodomain and WD repeat-containing protein 1, Bromodomain testis-specific protein, Bromodomain-containing protein 1, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Bromodomain-containing protein 7, CREB-binding protein, Cat eye syndrome critical region protein 2, E3 ubiquitin-protein ligase TRIM33, Histone acetyltransferase KAT2A/KAT2B, Probable global transcription activator SNF2L2, Protein polybromo-1, Transcription activator BRG1, Transcription initiation factor TFIID subunit 1-like, and Transcription intermediary factor 1-alpha, Uniprot A0A024R4W4, A0A024R8H6, A0A024RCR5, A7E2E1, O15164, O60885, O95696, P25440, P51531, P51532, Q15059, Q58F21, Q86U86, Q8IZX4, Q92793, Q92830, Q92831, Q9BXF3, Q9NPI1, Q9NSI6, Q9UIF8, Q9UIF9, Q9ULD4, and Q9UPN9