cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pk0hnd
title: BindingDB Entry 50043764: Linear propargylic alcohol functionality attached to the indazole-7-carboxamide as a JAK1-specific linear probe group.

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/q2sb470m
title: BindingDB Entry 50041523: Identification of novel glycine sulfonamide antagonists for the EP1 receptor.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Prostaglandin E2 receptor EP1 subtype (EP1), and Prostanoid FP receptor, Uniprot P05177, P10635, P11712, P33261, P34995, and P43088
DOI: 10.7270/q2sb474d
title: BindingDB Entry 50043175: Discovery of novel indolinone-based, potent, selective and brain penetrant inhibitors of LRRK2.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), and Platelet-derived growth factor receptor, Uniprot P07949, P16234, Q5S007, and Q9UM73
DOI: 10.7270/q2st7r6g
title: BindingDB Entry 50042695: Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Purinergic receptor P2Y11, Purinergic receptor P2Y12, Purinergic receptor P2Y14, Purinergic receptor P2Y2, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P47900, Q15077, Q15391, Q96G91, and Q9H244
DOI: 10.7270/q2tb18c4
title: BindingDB Entry 50043763: Targeting the Warburg Effect in cancer; relationships for 2-arylpyridazinones as inhibitors of the key glycolytic enzyme 6-phosphofructo-2-kinase/2,6-bisphosphatase 3 (PFKFB3).

description: Small molecule binding data for protein 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3), Uniprot Q16875
DOI: 10.7270/q2w95bfn
title: BindingDB Entry 50042164: Three-dimensional quantitative structure-activity relationship analyses of RGD mimetics as fibrinogen receptor antagonists.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2x34zp3
title: BindingDB Entry 50041522: Quantitative structure-activity relationship (QSAR) of indoloacetamides as inhibitors of human isoprenylcysteine carboxyl methyltransferase.

description: Small molecule binding data for protein Isoprenylcysteine carboxyl methyltransferase, Uniprot O60725
DOI: 10.7270/q2xk8gwb
title: BindingDB Entry 50042694: Potent and selective inhibition of histone deacetylase 6 (HDAC6) does not require a surface-binding motif.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2z039m7
title: BindingDB Entry 50043762: Discovery of novel N-(5-(arylcarbonyl)thiazol-2-yl)amides and N-(5-(arylcarbonyl)thiophen-2-yl)amides as potent ROR¿t inhibitors.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449, P51450, and Q6I9R9
DOI: 10.7270/q2zc84d5
title: BindingDB Entry 50044267: TBA

description: Small molecule binding data for protein Beta-2 adrenergic receptor and beta-3 adrenergic receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P07550 and P14416
DOI: 10.7270/q2zp47q1
title: BindingDB Entry 50044803: Medicinal chemistry optimization of antiplasmodial imidazopyridazine hits from high throughput screening of a softfocus kinase library: part 2.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2028stm
title: BindingDB Entry 50042171: N-(pyrimidin-4-yl) and N-(pyridin-2-yl) phenylalanine derivatives as VLA-4 integrin antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q20v8f0n
title: BindingDB Entry 50041531: New functional assay of P-glycoprotein activity using Hoechst 33342.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q21c1z6c
title: BindingDB Entry 50042701: Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.

description: Small molecule binding data for protein S-100 protein beta chain, Uniprot P04271
DOI: 10.7270/q21r6s09
title: BindingDB Entry 50043769: Carbamazepine derivatives with P2X4 receptor-blocking activity.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 3, P2X purinoceptor 4, P2X purinoceptor 7, and PurinergicP2X2/3, Uniprot P51575, P51577, P56373, Q99571, Q99572, Q9JJX6, and Q9UBL9
DOI: 10.7270/q24j0gbn
title: BindingDB Entry 50041530: Unique spirocyclopiperazinium salt III: further investigation of monospirocyclopiperazinium (MSPZ) salts as potential analgesics.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q25140kn
title: BindingDB Entry 50042700: N2-Trimethylacetyl substituted and unsubstituted-N4-phenylsubstituted-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines: design, cellular receptor tyrosine kinase inhibitory activities and in vivo evaluation as antiangiogenic, antimetastatic and antitumor agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00533, P09619, P17948, and P35968
DOI: 10.7270/q25h7hqm
title: BindingDB Entry 50043768: Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase (AKR1C3).

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Aldo-keto reductase family 1 member C1, Aldo-keto reductase family 1 member C2, and Aldo-keto reductase family 1 member C4 (AK1C4), Uniprot P17516, P42330, P52895, and Q04828
DOI: 10.7270/q25x2bf6
title: BindingDB Entry 50044273: TBA

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2668fs8
title: BindingDB Entry 50044809: Discovery of a novel pyrazole series of group X secreted phospholipase A2 inhibitor (sPLA2X) via fragment based virtual screening.

description: Small molecule binding data for protein Group X secretory phospholipase A2, Uniprot O15496
DOI: 10.7270/q27m097v
title: BindingDB Entry 50042169: N-Tetrahydrofuroyl-(L)-phenylalanine derivatives as potent VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q289172c
title: BindingDB Entry 50041529: 3D-QSAR studies on sildenafil analogues, selective phosphodiesterase 5 inhibitors.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q28c9xn0
title: BindingDB Entry 50043179: Synthesis, characterization, and biological assessment of the four stereoisomers of the H(3) receptor antagonist 5-fluoro-2-methyl-N-[2-methyl-4-(2-methyl[1,3']bipyrrolidinyl-1'-yl)phenyl]benzamide.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Histamine H3 receptor, and Histamine receptor H3, Uniprot P05177, P10635, P11712, P20813, P33261, Q865E1, and Q9QYN8
DOI: 10.7270/q28s4r87
title: BindingDB Entry 50042699: Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Multidrug resistance-associated protein 1, and P-glycoprotein 1, Uniprot P08183, P33527, and Q9UNQ0
DOI: 10.7270/q2cc1201
title: BindingDB Entry 50042168: 2-(Anilinomethyl)imidazolines as alpha(1)-adrenoceptor agonists: the identification of alpha(1A) subtype selective 2'-carboxylic acid esters and amides.

description: Small molecule binding data for protein Adrenergic receptor alpha, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2d21ztr
title: BindingDB Entry 50041528: Docking-based 3D-QSAR study for selectivity of DPP4, DPP8, and DPP9 inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase IX and Dipeptidyl peptidase VIII, Uniprot Q6V1X1 and Q86TI2
DOI: 10.7270/q2d50pc8
title: BindingDB Entry 50043178: Design, synthesis and structure-activity relationships of zwitterionic spirocyclic compounds as potent CCR1 antagonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P47900
DOI: 10.7270/q2dj5h0z
title: BindingDB Entry 50042698: Discovery of (1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide, a potent and orally efficacious mGlu5 receptor negative allosteric modulator.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5, and Serotonin receptor (2b and 2c), Uniprot P31424, P41594, P41595, and Q13255
DOI: 10.7270/q2f1916h
title: BindingDB Entry 50043766: Synthesis of novel indenoquinoxaline derivatives as potenta-glucosidase inhibitors.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q2ff3twv
title: BindingDB Entry 50044271: TBA

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Glycine transporter 1, Glycine transporter 2, and Sodium- and chloride-dependent glycine transporter 1, Uniprot P08684, P10635, P11712, P28571, P33261, P48067, and Q9Y345
DOI: 10.7270/q2h41sqz
title: BindingDB Entry 50042167: Isoxazolyl, oxazolyl, and thiazolylpropionic acid derivatives as potent alpha(4)beta(1) integrin antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2ht2qj5
title: BindingDB Entry 50041527: Structure-activity relationship, kinetic mechanism, and selectivity for a new class of ubiquitin C-terminal hydrolase-L1 (UCH-L1) inhibitors.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase isozyme L1, Uniprot P09936
DOI: 10.7270/q2hx1f27
title: BindingDB Entry 50043177: A highly catalytically active¿-carbonic anhydrase from the pathogenic anaerobe Porphyromonas gingivalis and its inhibition profile with anions and small molecules.

description: Small molecule binding data for protein Beta-carbonic anhydrase and Gamma-carbonic anhydrase, Uniprot P40881 and P46510
DOI: 10.7270/q2j967rq
title: BindingDB Entry 50042697: Inhibiting NF-¿B-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.

description: Small molecule binding data for protein NF-kappa-beta-inducing kinase (NF-kB), Uniprot Q99558
DOI: 10.7270/q2k64kmk
title: BindingDB Entry 50044270: TBA

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Human immunodeficiency virus type 1 integrase, Uniprot P08684 and P10635
DOI: 10.7270/q2kd20hh
title: BindingDB Entry 50044806: Inhibitory activities of propolis and its promising component, caffeic acid phenethyl ester, against amyloidogenesis of human transthyretin.

description: Small molecule binding data for protein TTR, Uniprot P02766
DOI: 10.7270/q2nk3gf4
title: BindingDB Entry 50043176: Cyanidin, a natural flavonoid, is an agonistic ligand for liver X receptor alpha and beta and reduces cellular lipid accumulation in macrophages and hepatocytes.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2p270hw
title: BindingDB Entry 50042696: Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 1.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q2pz5bcf
title: BindingDB Entry 50044269: TBA

description: Small molecule binding data for protein 26S proteosome and Proteasome subunit beta type-7, Uniprot P28062 and Q99436
DOI: 10.7270/q2q52r6d
title: BindingDB Entry 50044805: Discovery of novel, dual mechanism ERK inhibitors by affinity selection screening of an inactive kinase.

description: Small molecule binding data for protein AKT/p21CIP1, Casein kinase I isoform delta, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, Dual specificity mitogen-activated protein kinase kinase 1, Ephrin type-B receptor 4 (EphB4), Epidermal growth factor receptor, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Inhibitor of NF-kappa-B kinase (IKK), Insulin-like growth factor I receptor, Interleukin-1 receptor-associated kinase 4, MAP kinase ERK2, MAP kinase p38, Protein kinase C alpha type, RAF serine/threonine protein kinase, Rho-associated protein kinase, Ribosomal protein S6 kinase alpha 3, SRC, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase MST2, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PLK3, Testis-specific serine/threonine-protein kinase 2, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor, Uniprot L7RSL3, O14757, O14920, O60674, O75116, P00519, P00533, P06239, P08069, P08581, P11802, P15056, P17252, P17948, P24941, P28482, P31749, P36888, P48730, P49841, P51812, P51955, P54760, Q00534, Q02750, Q13188, Q15759, Q541P7, Q96PF2, Q9H4B4, and Q9NWZ3
DOI: 10.7270/q2rj4krc
title: BindingDB Entry 50042165: Discovery and evaluation of potent, cysteine-based alpha4beta1 integrin antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2sb477r
title: BindingDB Entry 50043771: TBA

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1 and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and P18493
DOI: 10.7270/q2tq632q
title: BindingDB Entry 50044268: TBA

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272, P34972, and P47936
DOI: 10.7270/q2tx3gzv
title: BindingDB Entry 50044804: Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q2w37xjq
title: BindingDB Entry 50041532: 2D QSAR studies on thyroid hormone receptor ligands.

description: Small molecule binding data for protein Thyroid Hormone Receptor (TR-beta) and Thyroid hormone receptor, Uniprot F1D8N7, P10827, and P10828
DOI: 10.7270/q2x34zvb
title: BindingDB Entry 50043174: Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERa-selective antagonist.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2x34zx7
title: BindingDB Entry 50043770: TBA

description: Small molecule binding data for protein 6-phospho-1-fructokinase and 6-phospho-1-fructokinase, putative, Uniprot O15648
DOI: 10.7270/q20v8f5w
title: BindingDB Entry 50043181: Synthesis of N-substituted acyclicß-amino acids and their investigation as GABA uptake inhibitors.

description: Small molecule binding data for protein GABA transporter 1, Uniprot P30531
DOI: 10.7270/q2251kqs
title: BindingDB Entry 50044274: TBA

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q22f7q1h
title: BindingDB Entry 50044810: Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid transporter B(0)AT2.

description: Small molecule binding data for protein Histamine H1 receptor and Sodium-dependent neutral amino acid transporter B(0)AT2, Uniprot P35367 and Q9H2J7
DOI: 10.7270/q23t9jhk
title: BindingDB Entry 50042170: Discovery and evaluation of N-(triazin-1,3,5-yl) phenylalanine derivatives as VLA-4 integrin antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q24m95xn
title: BindingDB Entry 50043180: Fused thiazolyl alkynes as potent mGlu5 receptor positive allosteric modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q27945w4
title: BindingDB Entry 50041539: Phenylethynyl-pyrrolo[1,2-a]pyrazine: a new potent and selective tool in the mGluR5 antagonists arena.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q28917bz
title: BindingDB Entry 50043775: TBA

description: Small molecule binding data for protein Calmodulin-domain protein kinase 1
DOI: 10.7270/q29p335x
title: BindingDB Entry 50044272: TBA

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), and Serotonin receptor (2b and 2c), Uniprot P28223, P41595, and P50406
DOI: 10.7270/q29z96g7
title: BindingDB Entry 50044808: Fragment-based screening of the bromodomain of ATAD2.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2, Uniprot Q6PL18
DOI: 10.7270/q2c24xmg
title: BindingDB Entry 50041538: Overcoming undesirable HERG potency of chemokine receptor antagonists using baseline lipophilicity relationships.

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/q2d2202p
title: BindingDB Entry 50043774: TBA

description: Small molecule binding data for protein Signal transducer and activator of transcription 3 and Transcription factor STAT5a (STAT5a), Uniprot P40763 and P42229
DOI: 10.7270/q2df6sq1
title: BindingDB Entry 50044279: Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490, Q80Z29, and Q99KQ4
DOI: 10.7270/q2fn17t7
title: BindingDB Entry 50044807: Biased multicomponent reactions to develop novel bromodomain inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Transcription initiation factor TFIID subunit 1, and Transcription initiation factor TFIID subunit 1-like, Uniprot O60885, P21675, and Q8IZX4
DOI: 10.7270/q2g44rm1
title: BindingDB Entry 50042175: Alpha(1)-adrenoceptor activation: a comparison of 4-(anilinomethyl)imidazoles and 4-(phenoxymethyl)imidazoles to related 2-imidazolines.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2gt5pcb
title: BindingDB Entry 50041537: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Carboxypeptidase A1, and Neprilysin, Uniprot P08473, P12821, P15085, and Q9BYF1
DOI: 10.7270/q2ht2qs9
title: BindingDB Entry 50043773: TBA

description: Small molecule binding data for protein LSD1/CoREST complex and Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2j67jfr
title: BindingDB Entry 50044278: TBA

description: Small molecule binding data for protein Coagulation factor XI and Plasma kallikrein (KLKB1), Uniprot P03951 and P03952
DOI: 10.7270/q2kw5hbf
title: BindingDB Entry 50042174: Dual NK(1) antagonists--serotonin reuptake inhibitors as potential antidepressants. Part 2: SAR and activity of benzyloxyphenethyl piperazine derivatives.

description: Small molecule binding data for protein Neurokinin 1 receptor and Sodium-dependent serotonin transporter, Uniprot P25103 and P31652
DOI: 10.7270/q2mk6f32
title: BindingDB Entry 50041536: New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part one: [h]-fused tricyclic systems.

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, and Voltage-gated potassium channel, Uniprot P14416, P35367, P35462, and Q12809
DOI: 10.7270/q2mp54pm
title: BindingDB Entry 50043184: Phosphinic acid-based inhibitors of tubulin polyglutamylases.

description: Small molecule binding data for protein Tubulin polyglutamylase TTLL7, Uniprot A4Q9F0
DOI: 10.7270/q2n29z97
title: BindingDB Entry 50042704: Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Serine/threonine-protein kinase mTOR, and Voltage-gated potassium channel, Uniprot O00329, P42336, P42338, P42345, P48736, and Q12809
DOI: 10.7270/q2nk3gh1
title: BindingDB Entry 50043772: TBA

description: Small molecule binding data for protein Von Hippel-Lindau disease tumor suppressor protein (VBC), Uniprot P40337
DOI: 10.7270/q2qn6825
title: BindingDB Entry 50042173: N-acyl-L-phenylalanine derivatives as potent VLA-4 antagonists that mimic a cyclic peptide conformation.

description: Small molecule binding data for protein Integrin alpha-4/beta-1, Uniprot P05556 and P13612
DOI: 10.7270/q2rb75tc
title: BindingDB Entry 50041535: Pyrrolo[2,3-a]carbazoles as potential cyclin dependent kinase 1 (CDK1) Inhibitors. Synthesis, biological evaluation, and binding mode through docking simulations.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P06493 and P14635
DOI: 10.7270/q2rb7601
title: BindingDB Entry 50043183: Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Aurora kinase B/Inner centromere protein, Hepatocyte growth factor receptor, and Macrophage-stimulating protein receptor, Uniprot P08581, Q04912, Q96GD4, and Q9UM73
DOI: 10.7270/q2rv0q2n
title: BindingDB Entry 50042703: Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374 and P22906
DOI: 10.7270/q2sq91xx
title: BindingDB Entry 50044276: TBA

description: Small molecule binding data for protein Eukaryotic translation initiation factor 2-alpha kinase 4, Uniprot Q9P2K8
DOI: 10.7270/q2sx6fs1
title: BindingDB Entry 50044812: Radiosynthesis and evaluation of an 18F-labeled positron emission tomography (PET) radioligand for metabotropic glutamate receptor subtype 4 (mGlu4).

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGlu4) and Metabotropic glutamate receptor 4 (mGluR4), Uniprot P31423 and Q14833
DOI: 10.7270/q2v989c5
title: BindingDB Entry 50042172: N-Aroyl-L-phenylalanine derivatives as VCAM/VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612