cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2rb78mx
title: BindingDB Entry 50016300: Rational design, synthesis and biological evaluation of dual PARP-1/2 and TNKS1/2 inhibitors for cancer therapy.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, Poly [ADP-ribose] polymerase tankyrase-2, Protein mono-ADP-ribosyltransferase PARP10, Protein mono-ADP-ribosyltransferase PARP12, Protein mono-ADP-ribosyltransferase PARP14, and Protein mono-ADP-ribosyltransferase TIPARP, Uniprot O95271, P09874, Q460N5, Q53GL7, Q7Z3E1, Q9H0J9, Q9H2K2, and Q9UGN5
DOI: 10.7270/q2w38196
title: BindingDB Entry 50016299: New salicylic acid derivatives, double inhibitors of glycolate oxidase and lactate dehydrogenase, as effective agents decreasing oxalate production.

description: Small molecule binding data for protein 2-Hydroxyacid oxidase 1, L-lactate dehydrogenase A chain, L-lactate dehydrogenase B chain, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot P00338, P05979, P07195, P35354, Q9UJM8, and Q9WU19
DOI: 10.7270/q20v8hss
title: BindingDB Entry 50016297: Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, Poly [ADP-ribose] polymerase tankyrase-2, Protein mono-ADP-ribosyltransferase PARP10, Protein mono-ADP-ribosyltransferase PARP11, Protein mono-ADP-ribosyltransferase PARP12, Protein mono-ADP-ribosyltransferase PARP14, Protein mono-ADP-ribosyltransferase PARP15, Protein mono-ADP-ribosyltransferase PARP16, Protein mono-ADP-ribosyltransferase PARP3, Protein mono-ADP-ribosyltransferase PARP4, and Protein mono-ADP-ribosyltransferase TIPARP, Uniprot O95271, P09874, Q460N3, Q460N5, Q53GL7, Q7Z3E1, Q8N5Y8, Q9H0J9, Q9H2K2, Q9NR21, Q9UGN5, Q9UKK3, and Q9Y6F1
DOI: 10.7270/q24m98jz
title: BindingDB Entry 50016295: Discovery of Natural Ursane-type SENP1 Inhibitors and the Platinum Resistance Reversal Activity Against Human Ovarian Cancer Cells: A Structure-Activity Relationship Study.

description: Small molecule binding data for protein Sentrin-specific protease 1, Uniprot Q9P0U3
DOI: 10.7270/q28d0187
title: BindingDB Entry 50016294: New Aβ(1-42) ligands from anti-amyloid antibodies: Design, synthesis, and structural interaction.

description: Small molecule binding data for protein Amyloid-beta precursor protein, Uniprot P05067
DOI: 10.7270/q2d50rx8
title: BindingDB Entry 50016292: Discovery of indirubin-3'-aminooxy-acetamide derivatives as potent and selective FLT3/D835Y mutant kinase inhibitors for acute myeloid leukemia.

description: Small molecule binding data for protein Receptor-type tyrosine-protein kinase FLT3 [K633Q], Uniprot P36888
DOI: 10.7270/q2ht2tc5
title: BindingDB Entry 50016291: Conformational adjustment overcomes multiple drug-resistance mutants of tropomyosin receptor kinase.

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Uniprot P04629
DOI: 10.7270/q2nk3k10
title: BindingDB Entry 50016287: Identification of novel and potent PROTACs targeting FAK for non-small cell lung cancer: Design, synthesis, and biological study.

description: Small molecule binding data for protein Focal adhesion kinase 1, Uniprot Q05397
DOI: 10.7270/q2sb49qv
title: BindingDB Entry 50016285: From Structure Modification to Drug Launch: A Systematic Review of the Ongoing Development of Cyclin-Dependent Kinase Inhibitors for Multiple Cancer Therapy.

description: Small molecule binding data for protein CDK9/Cyclin-T2, Carbonic anhydrase 2, Casein kinase I isoform alpha, Casein kinase I isoform delta, Casein kinase I isoform epsilon, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-C/Cyclin-dependent kinase 19, Cyclin-H/Cyclin-dependent kinase 7, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase 5 activator 1, Cyclin-dependent kinase 7, Receptor-type tyrosine-protein kinase FLT3 [K633Q], and Vascular endothelial growth factor receptor 2, Uniprot O60563, O60583, P00918, P11802, P20248, P24385, P24863, P24941, P35968, P36888, P48729, P48730, P49674, P50613, P50750, P51946, Q00535, Q15078, and Q9BWU1
DOI: 10.7270/q2x352fk
title: BindingDB Entry 50016282: Discovery of novel non-steroidal selective glucocorticoid receptor modulators by structure- and IGN-based virtual screening, structural optimization, and biological evaluation.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q21v5jzm
title: BindingDB Entry 50016280: Synthesis and biological evaluation of geniposide derivatives as inhibitors of hyperuricemia, inflammatory and fibrosis.

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P80457
DOI: 10.7270/q25m69qs
title: BindingDB Entry 50016279: Synthesis and biological evaluation of conformationally restricted GluN2B ligands derived from eliprodil.

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q29c72d2
title: BindingDB Entry 50016275: Discovery of novel 7,8-dihydropteridine-6(5H)-one-based DNA-PK inhibitors as potential anticancer agents via scaffold hopping strategy.

description: Small molecule binding data for protein DNA-dependent protein kinase catalytic subunit, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, P48736, and P78527
DOI: 10.7270/q2f193rh
title: BindingDB Entry 50016274: Structure-activity relationships of 1,4-bis(arylsulfonamido)-benzene or naphthalene-N,N'-diacetic acids with varying C2-substituents as inhibitors of Keap1-Nrf2 protein-protein interaction.

description: Small molecule binding data for protein Kelch-like ECH-associated protein 1, Uniprot Q14145
DOI: 10.7270/q2js9vf3
title: BindingDB Entry 50016273: Structure-based design of novel donepezil-like hybrids for a multi-target approach to the therapy of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Fatty-acid amide hydrolase 1, Uniprot O00519, P06276, and P22303
DOI: 10.7270/q2pk0m4x
title: BindingDB Entry 50016272: Synthesis and evaluation of novel HER-2 inhibitors to exert anti-breast cancer ability through epithelial-mesenchymal transition (EMT) pathway.

description: Small molecule binding data for protein Receptor tyrosine-protein kinase erbB-2, Uniprot P04626
DOI: 10.7270/q2tb1bwp
title: BindingDB Entry 50016271: New aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the hydroxytriazole scaffold.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member C2 and Aldo-keto reductase family 1 member C3, Uniprot P42330 and P52895
DOI: 10.7270/q2z323nv
title: BindingDB Entry 50016270: Discovery and structural optimization of potent epidermal growth factor receptor (EGFR) inhibitors against L858R/T790M/C797S resistance mutation for lung cancer treatment.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q22v2m4v
title: BindingDB Entry 50016269: Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4 and Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809 and Q9NWZ3
DOI: 10.7270/q26m3btq
title: BindingDB Entry 50016268: The azulene scaffold from a medicinal chemist's perspective: Physicochemical and in vitro parameters relevant for drug discovery.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P08684, P10632, P10635, P11712, and P33261
DOI: 10.7270/q2b85d44
title: BindingDB Entry 50016267: Synthesis and pharmacological validation of fluorescent diarylsulfonylurea analogues as NLRP3 inhibitors and imaging probes.

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3, Uniprot Q96P20
DOI: 10.7270/q2g164sj
title: BindingDB Entry 50016266: 6-Aryl-quinazolines as novel GABA

description: Small molecule binding data for protein Gamma-aminobutyric acid type B receptor subunit 1/2, Uniprot O75899 and Q9UBS5
DOI: 10.7270/q2ks6whk
title: BindingDB Entry 50016265: Recent advances in the development of active hybrid molecules in the treatment of cardiovascular diseases.

description: Small molecule binding data for protein Dual specificity protein kinase CLK1, Histamine H2 receptor, and Serine/threonine-protein kinase pim-1, Uniprot P11309, P22518, P25021, and P49759
DOI: 10.7270/q2qj7n8r
title: BindingDB Entry 50016264: Synthesis and biological evaluation of glucagon-like peptide-1 analogs with the C-terminal helix 3 of albumin-binding domain 3.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor, Uniprot P43220
DOI: 10.7270/q2v98d2c
title: BindingDB Entry 50016263: Targeting Bromodomain-Selective Inhibitors of BET Proteins in Drug Discovery and Development.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Interleukin-1 beta, and Interleukin-17A, Uniprot O60885, P10749, and Q16552
DOI: 10.7270/q2028wj8
title: BindingDB Entry 50016262: Principles of Kinase Allosteric Inhibition and Pocket Validation.

description: Small molecule binding data for protein Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Epidermal growth factor receptor, Hepatocyte growth factor receptor, High affinity nerve growth factor receptor, Mitogen-activated protein kinase 7, RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase, Serine/threonine-protein kinase WNK1, and Tyrosine-protein kinase ITK/TSK, Uniprot P00519, P00533, P04626, P04629, P08581, P11274, P21860, P31749, P31751, Q08881, Q13164, Q15303, Q9H4A3, and Q9Y243
DOI: 10.7270/q23t9n6s
title: BindingDB Entry 50016261: A novel photocaged B-Raf

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf, Uniprot P15056
DOI: 10.7270/q27h1pk7
title: BindingDB Entry 50016260: Small-Molecule Inhibitors of Tankyrases as Prospective Therapeutics for Cancer.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, and Poly [ADP-ribose] polymerase tankyrase-2, Uniprot O88554, O95271, P09874, Q9H2K2, and Q9UGN5
DOI: 10.7270/q2c82f8h
title: BindingDB Entry 50016259: Development of 5-hydroxyl-1-azabenzanthrone derivatives as dual binding site and selective acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2h13607
title: BindingDB Entry 50016258: Aspulvins A-H, Aspulvinone Analogues with SARS-CoV-2 M

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2ms3xr9
title: BindingDB Entry 50016257: Structure-activity relationship studies of functionalized aromatic peptidomimetics as neurolysin activators.

description: Small molecule binding data for protein Neurolysin, mitochondrial, Uniprot P42676
DOI: 10.7270/q2rj4pg1
title: BindingDB Entry 50016256: Metabolomics-assisted discovery of a new anticancer GLS-1 inhibitor chemotype from a nortopsentin-inspired library: From phenotype screening to target identification.

description: Small molecule binding data for protein Glutaminase kidney isoform, mitochondrial and Glutaminase liver isoform, mitochondrial, Uniprot O94925 and Q9UI32
DOI: 10.7270/q2w95f6r
title: BindingDB Entry 50016255: Rational design, synthesis, antiproliferative activity against MCF-7, MDA-MB-231 cells, estrogen receptors binding affinity, and computational study of indenopyrimidine-2,5-dione analogs for the treatment of breast cancer.

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor beta, Uniprot P03372 and Q92731
DOI: 10.7270/q2125xn6
title: BindingDB Entry 50016251: Discovery of a novel 2-aminopyrazine-3-carboxamide as a potent and selective inhibitor of Activin Receptor-Like Kinase-2 (ALK2) for the treatment of fibrodysplasia ossificans progressiva.

description: Small molecule binding data for protein Activin receptor type-1, Bone morphogenetic protein receptor type-1A, Bone morphogenetic protein receptor type-1B, Serine/threonine-protein kinase receptor R3, and TGF-beta receptor type-1, Uniprot O00238, P36894, P36897, P37023, and Q04771
DOI: 10.7270/q24q8004
title: BindingDB Entry 50016250: Jatrophane Diterpenoids with Kv1.3 Ion Channel Inhibitory Effects from

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily A member 3, Uniprot P22001
DOI: 10.7270/q28g8qpm
title: BindingDB Entry 50016249: Boosting the Discovery of Small Molecule Inhibitors of Glucose-6-Phosphate Dehydrogenase for the Treatment of Cancer, Infectious Diseases, and Inflammation.

description: Small molecule binding data for protein Glucose-6-phosphate 1-dehydrogenase, Uniprot P11413
DOI: 10.7270/q2d79gdb
title: BindingDB Entry 50016248: Discovery of ASP5878: Synthesis and structure-activity relationships of pyrimidine derivatives as pan-FGFRs inhibitors with improved metabolic stability and suppressed hERG channel inhibitory activity.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, and Potassium voltage-gated channel subfamily H member 2, Uniprot P11362, P21802, P22607, and Q12809
DOI: 10.7270/q2j10752
title: BindingDB Entry 50016246: Discovery of Anticancer Agents of Diverse Natural Origin.

description: Small molecule binding data for protein A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436, Uniprot A5LHX3, O14818, P20618, P25786, P25787, P25788, P25789, P28062, P28065, P28066, P28070, P28072, P28074, P40306, P49720, P49721, P60900, Q8TAA3, and Q99436
DOI: 10.7270/q2ns0zx4
title: BindingDB Entry 50016245: Recent insight into the biological activities and SAR of quinolone derivatives as multifunctional scaffold.

description: Small molecule binding data for protein Cytochrome P450 3A4 and Integrase, Uniprot P08684 and Q7ZJM1
DOI: 10.7270/q2sj1qnv
title: BindingDB Entry 50016244: Telocinobufagin Has Antitumor Effects in Non-Small-Cell Lung Cancer by Inhibiting STAT3 Signaling.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2x92g9p
title: BindingDB Entry 50016243: Strategies Targeting Protein Tyrosine Phosphatase SHP2 for Cancer Therapy.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q21z48ds
title: BindingDB Entry 50016242: Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Bifunctional epoxide hydrolase 2, Cannabinoid receptor 2, Corticotropin-releasing factor receptor 1, Cyclin-A2/Cyclin-dependent kinase 2, Epidermal growth factor receptor, Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2, Glucose-dependent insulinotropic receptor, Glycogen synthase kinase-3 alpha, Glycogen synthase kinase-3 beta, Heat shock protein HSP 90-alpha/90-beta, Histone-lysine N-methyltransferase EZH2, Isocitrate dehydrogenase [NADP] cytoplasmic, Macrophage migration inhibitory factor, Metabotropic glutamate receptor 2, Nuclear receptor ROR-gamma, O43924/P16499/P18545/P35913/P51160/Q13956, Oxysterols receptor LXR-beta, P-selectin, P2Y purinoceptor 12, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Plasmepsin II, Presenilin-1, Prostaglandin E2 receptor EP1 subtype, Proto-oncogene tyrosine-protein kinase Src, Retinoic acid receptor beta, Serine/threonine-protein kinase ATR, Sigma non-opioid intracellular receptor 1, Transient receptor potential cation channel subfamily V member 1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase SYK, Voltage-dependent T-type calcium channel subunit alpha-1I, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O43924, O75874, O76074, P00519, P00533, P07900, P08238, P10826, P12931, P14174, P16109, P16499, P18545, P20248, P24941, P34913, P34972, P34995, P34998, P35869, P35913, P37231, P42336, P43405, P46925, P49768, P49810, P49840, P49841, P51160, P51449, Q03181, Q08499, Q13535, Q13956, Q14416, Q15118, Q15910, Q60644, Q8NER1, Q8TDV5, Q8WW43, Q92542, Q96BI3, Q99720, Q9H244, Q9NZ42, and Q9P0X4
DOI: 10.7270/q25q512m
title: BindingDB Entry 50016241: Isolation and biological activity of azocine and azocane alkaloids.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, Cyclin-dependent kinase 4, and Xanthine dehydrogenase/oxidase, Uniprot P06276, P11802, P22303, and P47989
DOI: 10.7270/q29g5rsj
title: BindingDB Entry 50016240: Galangin 3-benzyl-5-methylether derivatives function as an adiponectin synthesis-promoting peroxisome proliferator-activated receptor γ partial agonist.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37231
DOI: 10.7270/q2f76hjq
title: BindingDB Entry 50016238: A survey of the clinical pipeline in neuroscience.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2k0788f
title: BindingDB Entry 50016235: Human estrogen receptor α antagonists, part 2: Synthesis driven by rational design, in vitro antiproliferative, and in vivo anticancer evaluation of innovative coumarin-related antiestrogens as breast cancer suppressants.

description: Small molecule binding data for protein Estrogen receptor, Estrogen receptor beta, and Progesterone receptor, Uniprot P03372, P06401, and Q92731
DOI: 10.7270/q2pr810v
title: BindingDB Entry 50016234: Design and synthesis of new potent 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Alpha-2C adrenergic receptor, D(2) dopamine receptor, D(3) dopamine receptor, and Histamine H1 receptor, Uniprot P08908, P14416, P18825, P19327, P28223, P34969, P35367, P35462, P41595, and P50406
DOI: 10.7270/q2th8rpb
title: BindingDB Entry 50016232: Novel 5-fluorouracil sensitizers for colorectal cancer therapy: Design and synthesis of S1P receptor 2 (S1PR2) antagonists.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 2, Uniprot O95136
DOI: 10.7270/q2z60t26
title: BindingDB Entry 50016231: Discovery, synthesis and biological characterization of a series of

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 11, Calcium-activated potassium channel subunit alpha-1, G protein-activated inward rectifier potassium channel 1, G protein-activated inward rectifier potassium channel 2, G protein-activated inward rectifier potassium channel 4, Potassium channel subfamily T member 1, Potassium channel subfamily T member 2, Potassium voltage-gated channel subfamily B member 1, Potassium voltage-gated channel subfamily B member 2, Potassium voltage-gated channel subfamily H member 6, and Potassium voltage-gated channel subfamily KQT member 2, Uniprot O43526, P48051, P48544, P48549, Q12791, Q14654, Q14721, Q5JUK3, Q6UVM3, Q92953, and Q9H252
DOI: 10.7270/q22z19hq
title: BindingDB Entry 50016230: Multi-target weapons: diaryl-pyrazoline thiazolidinediones simultaneously targeting VEGFR-2 and HDAC cancer hallmarks.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, and Vascular endothelial growth factor receptor 2, Uniprot O15379, P35968, P56524, Q13547, Q8WUI4, Q92769, Q9BY41, Q9UBN7, and Q9Y618
DOI: 10.7270/q26q227f
title: BindingDB Entry 50016229: Design, synthesis and biological evaluation of combretastatin A-4 sulfamate derivatives as potential anti-cancer agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2bg2t07
title: BindingDB Entry 50016228: Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).

description: Small molecule binding data for protein Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533 and P04626
DOI: 10.7270/q2g73jr0
title: BindingDB Entry 50016226: Benzo[

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2m049f8
title: BindingDB Entry 50016225: (-)-Epigallocatechin Gallate is a Noncompetitive Inhibitor of NAD Kinase.

description: Small molecule binding data for protein NAD kinase, Uniprot O95544
DOI: 10.7270/q2qr523s
title: BindingDB Entry 50016224: Optimization of Pyrimidine Compounds as Potent JAK1 Inhibitors and the Discovery of R507 as a Clinical Candidate.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 3A4, Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK1/JAK2, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and Tyrosine-protein kinase SYK, Uniprot O60674, P05177, P08684, P23458, P29597, P43405, and P52333
DOI: 10.7270/q2vd73gp
title: BindingDB Entry 50016223: Novel Lactams as Cbl-b Inhibitors for Treating Cancer.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase CBL-B, Uniprot Q13191
DOI: 10.7270/q2057kx4
title: BindingDB Entry 50016222: Factor XI Activation Inhibitors for Treating Thromboses, Embolism, Hypercoagulability, or Fibrotic Changes.

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q23x8bnj
title: BindingDB Entry 50016215: Selective Cyclin-Dependent Kinase Inhibitors and Their Application in Cancer Therapy.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q27p93dq
title: BindingDB Entry 50016213: Development of Esterase-Resistant and Highly Active Ghrelin Analogs via Thiol-Ene Click Chemistry.

description: Small molecule binding data for protein Appetite-regulating hormone, Uniprot Q9BDJ6 and Q9UBU3
DOI: 10.7270/q2cf9v42
title: BindingDB Entry 50016212: Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization.

description: Small molecule binding data for protein Gag-Pol polyprotein [489-587], Uniprot P04585
DOI: 10.7270/q2h70ktg
title: BindingDB Entry 50016211: Design, Synthesis, and Monoamine Oxidase B Selective Inhibitory Activity of

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, Q64133, and Q8BW75
DOI: 10.7270/q2n01bhr
title: BindingDB Entry 50016209: Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.

description: Small molecule binding data for protein Histone deacetylase 2, Uniprot Q92769