cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2h997wb
title: BindingDB Entry 50002811: Design, synthesis and evaluation of novel N-phenylbutanamide derivatives as KCNQ openers for the treatment of epilepsy.

description: Small molecule binding data for protein KCNQ (Kv7) potassium channel, Uniprot O43526
DOI: 10.7270/q27w6fvm
title: BindingDB Entry 50002813: Synthesis and evaluation of aryliden- and hetarylidenfuranone derivatives of usnic acid as highly potent Tdp1 inhibitors.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1, Uniprot A0A024R6L5 and Q9NUW8
DOI: 10.7270/q20c4zdw
title: BindingDB Entry 50002815: Design and synthesis of benzofuro[3,2-b]pyridin-2(1H)-one derivatives as anti-leukemia agents by inhibiting Btk and PI3Kδ.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphoinositide 3-Kinase (PI3K), delta, Tyrosine-protein kinase BTK, mTOR/FKBP12A/FKBP12B, p110α/p85α, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, P42345, P48736, and Q06187
DOI: 10.7270/q2445q4m
title: BindingDB Entry 50002814: Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/HLA-A2 interactions.

description: Small molecule binding data for protein HLA class I histocompatibility antigen A-3, Uniprot B1PKY1 and P04439
DOI: 10.7270/q2vm4fw4
title: BindingDB Entry 50002817: Synthesis and pharmacological characterization of functionalized 6-piperazin-1-yl-purines as cannabinoid receptor 1 (CB1) inverse agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q2gf0x4d
title: BindingDB Entry 50002821: Asperidines A-C, pyrrolidine and piperidine derivatives from the soil-derived fungus Aspergillus sclerotiorum PSU-RSPG178.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot A0A024R730 and P13569
DOI: 10.7270/q2m32zfd
title: BindingDB Entry 50002820: Iodine-mediated cyclization of cannabigerol (CBG) expands the cannabinoid biological and chemical space.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily V member 1, Transient receptor potential cation channel, subfamily V, member 3, and Vanilloid receptor, Uniprot E9PU00, Q6RI86, Q8NER1, Q8R455, Q9ERZ8, and Q9WUD2
DOI: 10.7270/q2qv3q5t
title: BindingDB Entry 50002819: Development of novel silanol-based human pregnane X receptor (PXR) agonists with improved receptor selectivity.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-gamma (RORC), and Nuclear receptor subfamily 1 group I member 2, Uniprot O75469, P35398, P51449, and Q6I9R9
DOI: 10.7270/q26w9dq7
title: BindingDB Entry 50002824: Incorporation of histone deacetylase inhibitory activity into the core of tamoxifen - A new hybrid design paradigm.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Histone deacetylase 3/Nuclear receptor corepressor 2, and Histone deacetylase 6, Uniprot A0A024QZ26, G4XH65, O15379, P03372, Q9UBN7, and Q9Y618
DOI: 10.7270/q2bp05fh
title: BindingDB Entry 50002823: Discovery of novel Syk/PDGFR-α/c-Kit inhibitors as multi-targeting drugs to treat rheumatoid arthritis.

description: Small molecule binding data for protein Lysyl-tRNA synthetase, Mast/stem cell growth factor receptor Kit, and Platelet-derived growth factor receptor, Uniprot P10721, P16234, and Q15046
DOI: 10.7270/q2348p1p
title: BindingDB Entry 50002825: 4-Aminophenyl acetamides and propanamides as potent transient receptor potential vanilloid 1 (TRPV1) ligands.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2pz5cg6
title: BindingDB Entry 50002828: Nitric oxide donor-based FFA1 agonists: Design, synthesis and biological evaluation as potential anti-diabetic and anti-thrombotic agents.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2tm7ds6
title: BindingDB Entry 50002827: Identification of influenza PA-Nter endonuclease inhibitors using pharmacophore- and docking-based virtual screening.

description: Small molecule binding data for protein Polymerase acidic protein, Uniprot Q9IQ47
DOI: 10.7270/q29p34bk
title: BindingDB Entry 50002831: Novel benzodiazepines derivatives as analgesic modulating for Transient receptor potential vanilloid 1.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2ff3w2x
title: BindingDB Entry 50002830: Evaluation of 4-phenylamino-substituted naphthalene-1,2-diones as tubulin polymerization inhibitors.

description: Small molecule binding data for protein Acyl coenzyme A:cholesterol acyltransferase, Uniprot P23141
DOI: 10.7270/q2k64mrs
title: BindingDB Entry 50002829: Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.

description: Small molecule binding data for protein Activin receptor type-1, Activin receptor type-1B, Activin receptor-like kinase 3 (ALK-3), BRAF/CRAF, Bone morphogenetic protein receptor type-1B (BMPR1B), Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor, RAF proto-oncogene serine/threonine-protein kinase, Serine/threonine-protein kinase receptor R3, TGF-beta receptor type-1, and VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Uniprot A0A0S2Z310, D3DPA4, L7RRS6, O00238, P04049, P09619, P10721, P15056, P16234, P36894, P36896, P36897, P37023, Q04771, and Q5T7S2
DOI: 10.7270/q25x2cmv
title: BindingDB Entry 50002832: Decoy peptides derived from the extracellular domain of toll-like receptor 2 (TLR2) show anti-inflammatory properties.

description: Small molecule binding data for protein Toll-like receptor 1/2, Uniprot A0A0S2Z4S4, O60603, and Q15399
DOI: 10.7270/q2251mv0
title: BindingDB Entry 50002833: Synthesis and biological evaluation of novel benzofuroxan-based pyrrolidine hydroxamates as matrix metalloproteinase inhibitors with nitric oxide releasing activity.

description: Small molecule binding data for protein 72 kDa type IV collagenase and Matrix metalloproteinase-9, Uniprot A0A024R6R4, P08253, and P14780
DOI: 10.7270/q2xd14c3
title: BindingDB Entry 50002834: A novel synthesis of 2-arylbenzimidazoles in molecular sieves-MeOH system and their antitubercular activity.

description: Small molecule binding data for protein DNA gyrase subunit A/DNA gyrase subunit B and DNA gyrase subunit B, Uniprot P9WG45 and P9WG47
DOI: 10.7270/q2nz8b9c
title: BindingDB Entry 50002836: Conversion of carbazole carboxamide based reversible inhibitors of Bruton's tyrosine kinase (BTK) into potent, selective irreversible inhibitors in the carbazole, tetrahydrocarbazole, and a new 2,3-dimethylindole series.

description: Small molecule binding data for protein Receptor protein-tyrosine kinase erbB-4, SRC, TEC family kinase, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase TEC, and Tyrosine-protein kinase TXK, Uniprot A0A024R7M7, A0A0S2Z3Y8, O60674, P06239, P42680, P42681, P51813, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q2sq9313
title: BindingDB Entry 50002835: Design, synthesis and biological evaluation of a series of novel GPR40 agonists containing nitrogen heterocyclic rings.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2j67kmd
title: BindingDB Entry 50002839: Design, synthesis, and activity evaluation of novel erythropoietin mimetic peptides.

description: Small molecule binding data for protein Erythropoietin receptor, Uniprot P19235
DOI: 10.7270/q24x5bf1
title: BindingDB Entry 50002843: Design, synthesis and preclinical evaluation of 5-methyl-N

description: Small molecule binding data for protein Epidermal growth factor receptor, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P00533, P09619, and P35968
DOI: 10.7270/q28p6366
title: BindingDB Entry 50002842: Inhibition of the LOX enzyme family members with old and new ligands. Selectivity analysis revisited.

description: Small molecule binding data for protein Lysyl oxidase, Lysyl oxidase homolog 2, Lysyl oxidase homolog 3, and Lysyl oxidase homolog 4, Uniprot D0PNI2, P28300, P58215, Q96JB6, and Q9Y4K0
DOI: 10.7270/q2df6twp
title: BindingDB Entry 50002841: Identification of a novel series of potent and selective CCR6 inhibitors as biological probes.

description: Small molecule binding data for protein C-C chemokine receptor type 1, C-C chemokine receptor type 6, C-C chemokine receptor type 6 (CCR6), and C-C chemokine receptor type 7, Uniprot A0N0Q0, H9YX08, P32246, P32248, P51684, and Q5U003
DOI: 10.7270/q2154kqm
title: BindingDB Entry 50002844: Design and synthesis of novel pyrimido[5,4-d]pyrimidine derivatives as GPR119 agonist for treatment of type 2 diabetes.

description: Small molecule binding data for protein Glucose-dependent insulinotropic receptor, Uniprot Q8TDV5
DOI: 10.7270/q2rr21x9
title: BindingDB Entry 50002846: Synthesis, molecular docking, and biological activity of 2-vinyl chromones: Toward selective butyrylcholinesterase inhibitors for potential Alzheimer's disease therapeutics.

description: Small molecule binding data for protein Carboxylesterase, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot P22303, P81908, and Q29550
DOI: 10.7270/q2wh2snn
title: BindingDB Entry 50002845: 2,4-Diamino-6-methylpyrimidines for the potential treatment of Chagas' disease.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Aurora kinase B, Cannabinoid receptor 1, and Sterol 14-alpha demethylase (CYP51), Uniprot P21554, P40989, Q7Z1V1, Q96GD4, and S5TLS4
DOI: 10.7270/q2cf9sr9
title: BindingDB Entry 50002849: Design and synthesis of novel 6-hydroxy-4-methoxy-3-methylbenzofuran-7-carboxamide derivatives as potent Mnks inhibitors by fragment-based drug design.

description: Small molecule binding data for protein MAP kinase-interacting serine/threonine-protein kinase 1 and MAP kinase-interacting serine/threonine-protein kinase 1/2, Uniprot Q9BUB5 and Q9HBH9
DOI: 10.7270/q2h70jgk
title: BindingDB Entry 50002848: A series of camptothecin prodrugs exhibit HDAC inhibition activity.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Histone deacetylase 3, and Histone deacetylase 6, Uniprot A0A024QZ26, O15379, Q13547, Q6IT96, and Q9UBN7
DOI: 10.7270/q2n01969
title: BindingDB Entry 50002847: Synthesis and evaluation of 1,2,3,4-tetrahydro-1-acridone analogues as potential dual inhibitors for amyloid-beta and tau aggregation.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q23x899n
title: BindingDB Entry 50002851: In vitro and in vivo pharmacokinetic and pharmacodynamic study of MBRI-001, a deuterium-substituted plinabulin derivative as a potent anti-cancer agent.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, Q6GRK0, and S5RV20
DOI: 10.7270/q27p921c
title: BindingDB Entry 50002850: Amelioration of mechanism-based inactivation of CYP3A4 by a H-PGDS inhibitor.

description: Small molecule binding data for protein Prostaglandin D Synthase, Uniprot A0A384P5J0 and O60760
DOI: 10.7270/q208680z
title: BindingDB Entry 50002852: Design, synthesis and structure-activity relationship of diaryl-ureas with novel isoxazol[3,4-b]pyridine-3-amino-structure as multi-target inhibitors against receptor tyrosine kinase.

description: Small molecule binding data for protein Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P09619, P35968, and P36888
DOI: 10.7270/q2qr50tc
title: BindingDB Entry 50002854: Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 3A, and Tyrosine-protein kinase BTK, Uniprot P08684, P10632, P11712, P20813, P33261, P40989, Q06187, Q6GRK0, and S5RV20
DOI: 10.7270/q2vh5rjq
title: BindingDB Entry 50002853: Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.

description: Small molecule binding data for protein Prostaglandin D Synthase, Uniprot A0A384P5J0 and O60760
DOI: 10.7270/q2g73hd3
title: BindingDB Entry 50002857: Design, synthesis and antibacterial properties of pyrimido[4,5-b]indol-8-amine inhibitors of DNA gyrase.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P9WG45
DOI: 10.7270/q2m0484t
title: BindingDB Entry 50002856: Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Cereblon/Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 11, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, NAD-dependent deacetylase sirtuin 3, and NAD-dependent protein deacetylase sirtuin-7 (SIRT7), Uniprot A0A024QZ26, A0A024QZQ1, O15379, P56524, Q13547, Q6IT96, Q8IXJ6, Q8WUI4, Q92769, Q969S8, Q96DB2, Q96EB6, Q9BY41, Q9NRC8, Q9NTG7, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2bg2rnx
title: BindingDB Entry 50002858: Oximes short-acting CB1 receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P20272, P34972, and P47936
DOI: 10.7270/q2319zj2
title: BindingDB Entry 50002860: Design, synthesis and biological evaluation of lazabemide derivatives as inhibitors of monoamine oxidase.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q26q20xk
title: BindingDB Entry 50002859: Structure-based design and synthesis of 1H-pyrazolo[3,4-d]pyrimidin-4-amino derivatives as Janus kinase 3 inhibitors.

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot A0A024R7E4, A0A024R7M7, O60674, P23458, P29597, P52333, Q06187, and Q63272
DOI: 10.7270/q2z89g3m
title: BindingDB Entry 50002861: Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor.

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot A0A024R7E4, A0A024R7M7, O60674, P23458, P29597, and P52333
DOI: 10.7270/q2k076x4
title: BindingDB Entry 50002864: Design, synthesis and in vitro study of densely functionalized oxindoles as potent α-glucosidase inhibitors.

description: Small molecule binding data for protein Probable maltase-glucoamylase 2, Uniprot Q2M2H8
DOI: 10.7270/q2pr7zn5
title: BindingDB Entry 50002863: Optimization of 5-arylidene barbiturates as potent, selective, reversible LSD1 inhibitors for the treatment of acute promyelocytic leukemia.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, P27338, and Q53YE7
DOI: 10.7270/q2th8qcw
title: BindingDB Entry 50002862: Discovery of TRPM8 Antagonist ( S)-6-(((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)carbamoyl)nicotinic Acid (AMG 333), a Clinical Candidate for the Treatment of Migraine.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 8, Transient receptor potential cation channel subfamily M member 8 (TRPM8), Transient receptor potential cation channel subfamily V member 1, Transient receptor potential cation channel subfamily V member 3, and Transient receptor potential cation channel subfamily V member 4, Uniprot O75762, Q7Z2W7, Q8NER1, Q8NET8, Q8R455, Q8R4D5, Q9HBA0, and W8DTH1
DOI: 10.7270/q2f76g6t
title: BindingDB Entry 50002865: Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q25t3p4n
title: BindingDB Entry 50002868: Discovery and development of substituted tyrosine derivatives as Bcl-2/Mcl-1 inhibitors.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot A0A024R2B3, P10415, and Q07820
DOI: 10.7270/q29g5qg3
title: BindingDB Entry 50002866: Design, synthesis and structure-activity relationship study of novel naphthoindolizine and indolizinoquinoline-5,12-dione derivatives as IDO1 inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase and Tryptophan 2,3-dioxygenase, Uniprot A0A348GSI3, P14902, and P48775
DOI: 10.7270/q2222xfp
title: BindingDB Entry 50002869: Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot Q8NER1 and Q9WUD2
DOI: 10.7270/q2sj1p8h
title: BindingDB Entry 50002873: Increasing C-Terminal Hydrophobicity Improves the Cell Permeability and Antiproliferative Activity of PACE4 Inhibitors against Prostate Cancer Cell Lines.

description: Small molecule binding data for protein Furin and Subtilisin/kexin type 6, Uniprot A0A024RC70, P09958, and P29122
DOI: 10.7270/q2x92dzc
title: BindingDB Entry 50002870: Synthesis toward Bivalent Ligands for the Dopamine D

description: Small molecule binding data for protein D(2) dopamine receptor/Metabotropic glutamate receptor 5 and Metabotropic glutamate receptor 5, Uniprot A0A024R3C5, P14416, and P41594
DOI: 10.7270/q2j105s9
title: BindingDB Entry 50002875: Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Dual specificity protein kinase TTK, JNK2/JNK3, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Mitogen-activated protein kinase 10, and Mitogen-activated protein kinase 8/9, Uniprot A0A024RB77, P20248, P24941, P33981, P45983, P45984, P53779, and Q5S007
DOI: 10.7270/q2ns0xjs
title: BindingDB Entry 50002874: Design, synthesis, and biological evaluation of selective and potent Carbazole-based butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2d79f2f
title: BindingDB Entry 50002876: Identification of the First PPARα/γ Dual Agonist Able To Bind to Canonical and Alternative Sites of PPARγ and To Inhibit Its Cdk5-Mediated Phosphorylation.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot F1D8S4, P37231, and Q07869
DOI: 10.7270/q2125wbr
title: BindingDB Entry 50002879: Aiming to Miss a Moving Target: Bromo and Extra Terminal Domain (BET) Selectivity in Constrained ATAD2 Inhibitors.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2 and Bromodomain-containing protein 4, Uniprot A0A024R9G7, O60885, and Q6PL18
DOI: 10.7270/q28k7cr1
title: BindingDB Entry 50002877: A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Peptide N-myristoyltransferase, Uniprot P30419 and P40989
DOI: 10.7270/q24t6n25
title: BindingDB Entry 50002878: Discovery of ( S)-3-(3-(3,5-Dimethyl-1 H-pyrazol-1-yl)phenyl)-4-(( R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-yl)butanoic Acid, a Nonpeptidic α

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, ITGA5/ITGB1, ITGAV/ITGB1, ITGAV/ITGB3, ITGAV/ITGB5, ITGAV/ITGB6, and ITGAV/ITGB8, Uniprot L7RT22, L7RXH0, P05106, P05556, P06756, P08648, P18084, P18564, P26012, and P40989
DOI: 10.7270/q2w95cvf
title: BindingDB Entry 50002880: Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, CCR5/mu opioid receptor complex, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, P40989, P51681, Q38L21, Q6GRK0, and S5RV20
DOI: 10.7270/q2ms3wdd
title: BindingDB Entry 50002883: Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.

description: Small molecule binding data for protein Son of sevenless homolog 1, Uniprot Q07889
DOI: 10.7270/q2rj4n44
title: BindingDB Entry 50002881: VU6007477, a Novel M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M2 and M5, and Muscarinic receptor M1 and M2, Uniprot A0A024R3W1, A0A024R9I2, A4D1Q0, P08172, P08173, P08482, P08912, P11229, P20309, and Q53XZ3
DOI: 10.7270/q2h134pc
title: BindingDB Entry 50002884: Applications of parallel synthetic lead hopping and pharmacophore-based virtual screening in the discovery of efficient glycine receptor potentiators.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 3A/3C, GABA receptor alpha-1/beta-2/gamma-2 subunit, Glycine receptor (alpha-1/beta), and Glycine receptor alpha-3/beta, Uniprot O75311, P14867, P18507, P23415, P46098, P47870, and P48167
DOI: 10.7270/q27m0bm6
title: BindingDB Entry 50002887: Synthesis of piperazine sulfonamide analogs as diabetic-II inhibitors and their molecular docking study.

description: Small molecule binding data for protein Pancreatic alpha-amylase, Uniprot P00690
DOI: 10.7270/q2cc13bx
title: BindingDB Entry 50002886: Synthesis and biological evaluation of new naphtho- and quinolinocyclopentane derivatives as potent melatoninergic (MT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2C and Melatonin receptor, Uniprot P28335, P48039, and P49286
DOI: 10.7270/q23t9kwx
title: BindingDB Entry 50002888: Verbascoside isolated from Lantana camara, an inhibitor of protein kinase C.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot P09217