cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q23j3fh9
title: BindingDB Entry 50044382: Discovery of 4-aryl-N-arylcarbonyl-2-aminothiazoles as Hec1/Nek2 inhibitors. Part I: optimization of in vitro potencies and pharmacokinetic properties.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, C-RAF, Cyclin-Dependent Kinase 1 (CDK1), Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, PI3-kinase subunit alpha, PI3-kinase subunit beta, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot O14757, O14965, O96017, P00533, P04049, P06493, P08069, P08581, P09619, P10721, P11362, P14635, P15056, P35968, P36888, P42336, P42338, P42345, P51955, Q12809, and Q96GD4
DOI: 10.7270/q23n24rc
title: BindingDB Entry 50042801: Structure-based fragment screening is demonstrated to be a practical lead discovery method for a representative G-protein-coupled receptor.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Uniprot P08588
DOI: 10.7270/q23t9jtm
title: BindingDB Entry 50044918: Design and synthesis of novel small molecule CCR2 antagonists: evaluation of 4-aminopiperidine derivatives.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950 and P41597
DOI: 10.7270/q2668fg7
title: BindingDB Entry 50042271: Oxazolidinones as novel human CCR8 antagonists.

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/q269758w
title: BindingDB Entry 50045376: Discovery and characterization of MAPK-activated protein kinase-2 prevention of activation inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A and Mitogen-activated protein kinase 14, Uniprot P08684 and Q16539
DOI: 10.7270/q2794671
title: BindingDB Entry 50044381: Design and synthesis of human ABCB1 (P-glycoprotein) inhibitors by peptide coupling of diverse chemical scaffolds on carboxyl and amino termini of (S)-valine-derived thiazole amino acid.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q27d2wh5
title: BindingDB Entry 50042800: Discovery of a new class of highly potent inhibitors of acid ceramidase: synthesis and structure-activity relationship (SAR).

description: Small molecule binding data for protein Acid ceramidase (AC), Uniprot Q13510 and Q6P7S1
DOI: 10.7270/q27w6dm2
title: BindingDB Entry 50043272: Synthesis, evaluation and molecular dynamics study of some new 4-aminopyridine semicarbazones as an antiamnesic and cognition enhancing agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P06276
DOI: 10.7270/q2b27wzc
title: BindingDB Entry 50045375: Design, synthesis, and evaluation of novel imidazo[1,2-a][1,3,5]triazines and their derivatives as focal adhesion kinase inhibitors with antitumor activity.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 and Insulin receptor, Uniprot P06213 and Q05397
DOI: 10.7270/q2c53n7w
title: BindingDB Entry 50042799: Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Endopeptidase prolyl oligopeptidase (PREP), and Fibroblast activation protein alpha, Uniprot P27487, P48147, Q12884, Q6V1X1, and Q86TI2
DOI: 10.7270/q2fq9z8g
title: BindingDB Entry 50045374: Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver.

description: Small molecule binding data for protein Protein tyrosine phosphatase type IVA 1, Protein tyrosine phosphatase type IVA 2, and Protein-tyrosine phosphatase 4A3, Uniprot O75365, Q12974, and Q93096
DOI: 10.7270/q2gt5pqt
title: BindingDB Entry 50044379: Design, synthesis and biological evaluation of Pontin ATPase inhibitors through a molecular docking approach.

description: Small molecule binding data for protein RuvB-like 1, Uniprot Q9Y265
DOI: 10.7270/q2gx4cxf
title: BindingDB Entry 50042798: Development of a selective peptide macrocycle inhibitor of coagulation factor XII toward the generation of a safe antithrombotic therapy.

description: Small molecule binding data for protein Coagulation factor XI, Factor XIIa, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin-1, and Urokinase-type plasminogen activator, Uniprot P00734, P00747, P00748, P00749, P00750, P03951, P03952, and P07477
DOI: 10.7270/q2k64kk4
title: BindingDB Entry 50043881: Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 1: development of a potent and CNS penetrant [3.1.0]-based lead.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Glycine transporter 1, and Glycine transporter 2, Uniprot P05177, P10635, P11712, P48067, and Q9Y345
DOI: 10.7270/q2kd206g
title: BindingDB Entry 50042268: Non-steroidal glucocorticoid agonists: the discovery of aryl pyrazoles as A-ring mimetics.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2n58nsf
title: BindingDB Entry 50043269: Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot P00492
DOI: 10.7270/q2pz5b9j
title: BindingDB Entry 50043880: Anilino-monoindolylmaleimides as potent and selective JAK3 inhibitors.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2q52qxd
title: BindingDB Entry 50042267: Synthesis and evaluation of homo-bivalent GnRHR ligands.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q2qj7jwk
title: BindingDB Entry 50044921: Design, synthesis and anticancer evaluation of tetrahydro-ß-carboline-hydantoin hybrids.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2rx9dhv
title: BindingDB Entry 50043268: C-Glucosides with heteroaryl thiophene as novel sodium-dependent glucose cotransporter 2 inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2t1559d
title: BindingDB Entry 50045379: SAR156497, an exquisitely selective inhibitor of aurora kinases.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 3A, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin-like growth factor I receptor, MAP kinase p38, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-C, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O14965, O15264, P08069, P08684, P53778, Q02763, Q05397, Q15759, Q16539, Q96GD4, and Q9UQB9
DOI: 10.7270/q2tm7cmj
title: BindingDB Entry 50043879: Rat intestinal sucrase inhibition of constituents from the roots of Rosa rugosa Thunb.

description: Small molecule binding data for protein alpha-Glucosidase (α-Glucosidase), Uniprot P23739
DOI: 10.7270/q2v126cw
title: BindingDB Entry 50044384: Pim kinase inhibitory and antiproliferative activity of a novel series of meridianin C derivatives.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309, Q86V86, and Q9P1W9
DOI: 10.7270/q2v40wjp
title: BindingDB Entry 50042803: Inhibitors of the TAM subfamily of tyrosine kinases: synthesis and biological evaluation.

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Hepatocyte growth factor receptor, MER intracellular domain/EGFR extracellular domain chimera, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase receptor TYRO3, Uniprot P00519, P08581, P30530, Q06418, and Q12866
DOI: 10.7270/q2v989p6
title: BindingDB Entry 50044920: Lithocarpic acids O-S, five homo-cycloartane derivatives from the cupules of Lithocarpus polystachyus.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q2wq056p
title: BindingDB Entry 50043267: 3'-Oxo-, amino-, thio- and sulfone-acetic acid modified thymidines: effect of increased acidity on ribonuclease A inhibition.

description: Small molecule binding data for protein CAM-RNase A, Uniprot P61823
DOI: 10.7270/q2xs5x2w
title: BindingDB Entry 50045378: Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.

description: Small molecule binding data for protein JAK3/JAK1, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase MST4, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, P52333, Q13188, Q5S007, and Q9P289
DOI: 10.7270/q2zc84b8
title: BindingDB Entry 50043878: Heterocyclic core analogs of a direct thrombin inhibitor.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Factor XIIa, Uniprot P00742 and P00748
DOI: 10.7270/q2zs2z2g
title: BindingDB Entry 50044383: Combination of triple bond and adamantane ring on the vitamin D side chain produced partial agonists for vitamin D receptor.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q20g3mkn
title: BindingDB Entry 50043274: Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map.

description: Small molecule binding data for protein Centromere-associated protein E, Uniprot Q02224
DOI: 10.7270/q21j9cf7
title: BindingDB Entry 50045385: Iterative conversion of cyclin binding groove peptides into druglike CDK inhibitors with antitumor activity.

description: Small molecule binding data for protein Cyclin-A2, Uniprot P20248
DOI: 10.7270/q2251knw
title: BindingDB Entry 50043885: Synthesis of a C-phosphonate mimic of maltose-1-phosphate and inhibition studies on Mycobacterium tuberculosis GlgE.

description: Small molecule binding data for protein Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, Uniprot P9WQ17
DOI: 10.7270/q22j6ddc
title: BindingDB Entry 50044390: Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1 and Cytochrome P450 2D6 (2D6), Uniprot P10635 and P56817
DOI: 10.7270/q22n53m0
title: BindingDB Entry 50042809: Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Tyrosine-protein kinase SYK, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, P43405, and Q12809
DOI: 10.7270/q22v2hrp
title: BindingDB Entry 50044926: Anilinotriazoles as potent gamma secretase modulators.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, P33261, P49768, P49810, Q12809, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q2474c8x
title: BindingDB Entry 50043273: Solid-phase synthesis of 5'-triphosphate 2'-5'-oligoadenylates analogs with 3'-O-biolabile groups and their evaluation as RNase L activators and antiviral drugs.

description: Small molecule binding data for protein RNase L, Uniprot Q05823
DOI: 10.7270/q25b045h
title: BindingDB Entry 50045384: Design and nuclear magnetic resonance (NMR) structure determination of the second extracellular immunoglobulin tyrosine kinase A (TrkAIg2) domain construct for binding site elucidation in drug discovery.

description: Small molecule binding data for protein Neurotrophic tyrosine kinase receptor, Uniprot P04629
DOI: 10.7270/q25x2bdr
title: BindingDB Entry 50043884: Ionic liquid mediated synthesis of mono- and bis-spirooxindole-hexahydropyrrolidines as cholinesterase inhibitors and their molecular docking studies.

description: Small molecule binding data for protein Butyrylcholinesterase (BuChE), Uniprot P81908
DOI: 10.7270/q2697543
title: BindingDB Entry 50044389: Shuttle-cargo fusion molecules of transport peptides and the hD2/3 receptor antagonist fallypride: a feasible approach to preserve ligand-receptor binding?

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416
DOI: 10.7270/q26d5vbb
title: BindingDB Entry 50042808: Substituted 4-(thiazol-5-yl)-2-(phenylamino)pyrimidines are highly active CDK9 inhibitors: synthesis, X-ray crystal structures, structure-activity relationship, and anticancer activities.

description: Small molecule binding data for protein AKT/p21CIP1, Breakpoint cluster region protein /Tyrosine-protein kinase ABL, CDK2/Cyclin A/Cyclin A1, CDK6/G1/S-specific cyclin D3, CaM kinase I alpha, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-Dependent Kinase 9 (CDK9), Inhibitor of NF-kappa-B kinase (IKK), MAP kinase-activated protein kinase 2, Protein kinase C alpha type, SRC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O14920, O60563, P00519, P06239, P06493, P11274, P12931, P14635, P17252, P20248, P24941, P30281, P31749, P49137, P50613, P50750, P51946, P78396, Q00534, and Q14012
DOI: 10.7270/q26m38fz
title: BindingDB Entry 50044925: Dilazep analogues for the study of equilibrative nucleoside transporters 1 and 2 (ENT1 and ENT2).

description: Small molecule binding data for protein Equilibrative Nucleoside Transporter 1 (ENT1) and Equilibrative nucleoside transporter 2, Uniprot O54699 and Q99808
DOI: 10.7270/q2930vv0
title: BindingDB Entry 50045383: Design and synthesis of protein kinase C epsilon selective diacylglycerol lactones (DAG-lactones).

description: Small molecule binding data for protein Protein kinase C alpha type and Protein kinase C, epsilon, Uniprot P17252 and Q02156
DOI: 10.7270/q29p334g
title: BindingDB Entry 50043883: Synthesis and biological evaluation of a new series of ebselen derivatives as glutathione peroxidase (GPx) mimics and cholinesterase inhibitors against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2b27wv1
title: BindingDB Entry 50044388: Discovery of GS-9973, a selective and orally efficacious inhibitor of spleen tyrosine kinase.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Mast/stem cell growth factor receptor Kit, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O60674, P05177, P05532, P07949, P08684, P10635, P11712, P33261, P35968, P36888, P43405, and Q64725
DOI: 10.7270/q2b859qh
title: BindingDB Entry 50044924: Histone deacetylase inhibitors derived from 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine and related heterocycles selective for the HDAC6 isoform.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, and Q9UQL6
DOI: 10.7270/q2cn759b
title: BindingDB Entry 50043271: Investigations on synthesis and structure elucidation of novel [1,2,4]triazolo[1,2-a]pyridazine-1-thiones and their inhibitory activity against inducible nitric oxide synthase.

description: Small molecule binding data for protein Nitric oxide synthase, inducible, Uniprot Q06518
DOI: 10.7270/q2dv1mjz
title: BindingDB Entry 50045382: Design, synthesis and evaluation of marinopyrrole derivatives as selective inhibitors of Mcl-1 binding to pro-apoptotic Bim and dual Mcl-1/Bcl-xL inhibitors.

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2ff3tvd
title: BindingDB Entry 50043882: Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs.

description: Small molecule binding data for protein Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, Uniprot Q96Q83
DOI: 10.7270/q2ft8nmw
title: BindingDB Entry 50044387: Identification of trisubstituted-pyrazol carboxamide analogs as novel and potent antagonists of farnesoid X receptor.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2fx7bth
title: BindingDB Entry 50042806: Rational design of apoptosis signal-regulating kinase 1 inhibitors: discovering novel structural scaffold.

description: Small molecule binding data for protein Apoptosis Signal-regulating Kinase 1 (ASK1), Uniprot Q99683
DOI: 10.7270/q2g162ds
title: BindingDB Entry 50044923: Synthesis and antiprotozoal activity of oligomethylene- and p-phenylene-bis(methylene)-linked bis(+)-huprines.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2hd7x24
title: BindingDB Entry 50043270: Synthesis anda-glucosidase inhibitory activity evaluation of N-substituted aminomethyl-ß-d-glucopyranosides.

description: Small molecule binding data for protein α-glucosidase, Acidic alpha-glucosidase, and alpha-Glucosidase (α-Glucosidase), Uniprot P23739, P53051, and Q6P7A9
DOI: 10.7270/q2jh3nvz
title: BindingDB Entry 50045381: Inhibitors of c-Jun N-terminal kinases: an update.

description: Small molecule binding data for protein Casein kinase I isoform delta, Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Cytochrome P450 3A, JAK2/TYK2, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), MAP kinase p38, MAP kinase signal-integrating kinase 2, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 9, PI3-kinase subunit gamma, Platelet-derived growth factor subunit B (PDGFB), Tyrosine-protein kinase Kit (Kit), Voltage-gated potassium channel, c-Jun N-terminal kinase 3, and c-Jun N-terminal kinase, JNK, Uniprot O15264, P01127, P05177, P05181, P08684, P10632, P10635, P10721, P11509, P11712, P20813, P29597, P33261, P45983, P45984, P48730, P48736, P49187, P53778, P53779, Q12809, Q15759, Q16539, Q5S007, and Q9HBH9
DOI: 10.7270/q2kk9dc2
title: BindingDB Entry 50044386: Highly-selective 4-(1,2,3-triazole)-based P450c17a 17,20-lyase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 17A1 and Cytochrome P450 3A, Uniprot P05093, P08684, and P11715
DOI: 10.7270/q2kp83hs
title: BindingDB Entry 50042805: Discovery and characterization of novel allosteric FAK inhibitors.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Mitogen-activated protein kinase 2, Mitogen-activated protein kinase kinase kinase 9 (MLK1), Mitogen-activated protein kinase kinase kinase kinase 4, PTK2B protein tyrosine kinase 2 beta (PTK2B), SM myosin light chain kinase (smMLCK), SRC, Serine/threonine-protein kinase CHK2, and Tyrosine-protein kinase Yes, Uniprot O95819, O96017, P06241, P07947, P09769, P80192, Q05397, Q12851, Q14289, and Q15746
DOI: 10.7270/q2ks6t4t
title: BindingDB Entry 50044922: Tanzawaic acid derivatives from a marine isolate of Penicillium sp. (SF-6013) with anti-inflammatory and PTP1B inhibitory activities.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2p84dj7
title: BindingDB Entry 50045380: Phosphatidylinositol 3-Kinase (PI3K) and phosphatidylinositol 3-kinase-related kinase (PIKK) inhibitors: importance of the morpholine ring.

description: Small molecule binding data for protein DNA-dependent protein kinase, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Serine-protein kinase ATM, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, P42346, P48736, P78527, and Q13315
DOI: 10.7270/q2qc04w7
title: BindingDB Entry 50042804: Synthesis and in vitro biological evaluation of 2,6,9-trisubstituted purines targeting multiple cyclin-dependent kinases.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 7 (CDK7), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P50613, P50750, P51946, Q00535, and Q15078
DOI: 10.7270/q2qc052w
title: BindingDB Entry 50044385: P3 SAR exploration of biphenyl carbamate based Legumain inhibitors.

description: Small molecule binding data for protein Legumain, Uniprot Q99538
DOI: 10.7270/q2sq91v1
title: BindingDB Entry 50043887: Discovery of novel indazole derivatives as dual angiotensin II antagonists and partial PPAR¿ agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot P23204, P35396, and P37238
DOI: 10.7270/q2vq3446
title: BindingDB Entry 50043275: Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2xd1350
title: BindingDB Entry 50043886: Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 2: development of a [3.3.0]-based series and other piperidine bioisosteres.

description: Small molecule binding data for protein Glycine transporter 1 and Glycine transporter 2, Uniprot P48067 and Q9Y345
DOI: 10.7270/q2z32183
title: BindingDB Entry 50044927: Anithiactins A-C, modified 2-phenylthiazoles from a mudflat-derived Streptomyces sp.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2zw1n83
title: BindingDB Entry 50042802: TBA

description: Small molecule binding data for protein Myc proto-oncogene protein and Nitric Oxide Synthase, inducible, Uniprot P01106 and P29477
DOI: 10.7270/q2154jjz
title: BindingDB Entry 50043893: TBA

description: Small molecule binding data for protein G-protein coupled receptor 55 and N-arachidonyl glycine receptor, Uniprot Q14330 and Q9Y2T6
DOI: 10.7270/q24x598c
title: BindingDB Entry 50043892: TBA

description: Small molecule binding data for protein Myeloperoxidase (MPO), Uniprot P05164
DOI: 10.7270/q25m67b1
title: BindingDB Entry 50044933: The effect of pK(a) on pyrimidine/pyridine-derived histamine H4 ligands.

description: Small molecule binding data for protein Histamine receptor (H4), Uniprot Q9H3N8