cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2377b0r
title: BindingDB Entry 50042297: Design, synthesis, and evaluation of 2-methyl- and 2-amino-N-aryl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amines as ring-constrained 2-anilino-4-(thiazol-5-yl)pyrimidine cyclin-dependent kinase inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 7 (CDK7), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P06493, P14635, P50613, P50750, and P51946
DOI: 10.7270/q23f4qqn
title: BindingDB Entry 50040097: Discovery of an orally efficacious inhibitor of anaplastic lymphoma kinase.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Mitogen-activated protein kinase 2, NUAK family SNF1-like kinase 1, Ribosomal protein S6 kinase alpha 1, Ribosomal protein S6 kinase alpha 2, Ribosomal protein S6 kinase alpha 3, Ribosomal protein S6 kinase alpha 6, Serine/threonine-protein kinase CHK2, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase BRK, Tyrosine-protein kinase FER, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase receptor FLT3, Voltage-gated potassium channel, and c-Jun N-terminal kinase, JNK, Uniprot O60285, O96017, P07332, P16591, P35916, P36888, P45983, P51812, Q05397, Q07912, Q12809, Q12851, Q13882, Q15349, Q15418, Q9UK32, and Q9UM73
DOI: 10.7270/q23t9jg4
title: BindingDB Entry 50041779: Potent oxadiazole CGRP receptor antagonists for the potential treatment of migraine.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q24j0g8r
title: BindingDB Entry 50041043: Non-peptide alpha(v)beta(3) antagonists. Part 3: identification of potent RGD mimetics incorporating novel beta-amino acids as aspartic acid replacements.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2639qvt
title: BindingDB Entry 50040523: A straightforward approach for engineering efficacy and selectivity at GPCRs.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2765gcg
title: BindingDB Entry 50040096: Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine A3 receptor, Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P30542, Q60612, and Q61618
DOI: 10.7270/q289171x
title: BindingDB Entry 50041042: Nonpeptide alpha(v)beta(3) antagonists. Part 2: constrained glycyl amides derived from the RGD tripeptide.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q29w0gm7
title: BindingDB Entry 50040522: 4-Phenyl-7-azaindoles as potent, selective and bioavailable IKK2 inhibitors demonstrating good in vivo efficacy.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Inhibitor of NF-kappa-B kinase (IKK), and Voltage-gated potassium channel, Uniprot O14920, O15111, P05177, P08684, P10635, P11712, and Q12809
DOI: 10.7270/q2br8tgj
title: BindingDB Entry 50042295: SAR of N-phenyl piperidine based oral integrin alpha5beta1 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08514, P08648, and P18084
DOI: 10.7270/q2bz673w
title: BindingDB Entry 50040095: Discovery of pyrroloaminopyrazoles as novel PAK inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Glycogen synthase kinase-3, MAP kinase ERK2, Serine/threonine-protein kinase MARK1, and Serine/threonine-protein kinase PAK 4, Uniprot O96013, P24941, P28482, P49841, and Q9P0L2
DOI: 10.7270/q2fn17bz
title: BindingDB Entry 50040521: Shape-based reprofiling of FDA-approved drugs for the H1 histamine receptor.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P31390 and P35367
DOI: 10.7270/q2g44rj4
title: BindingDB Entry 50041784: Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists.

description: Small molecule binding data for protein Histamine H4 Receptor and Histamine receptor (H4), Uniprot Q91ZY1 and Q9H3N8
DOI: 10.7270/q2gh9k7q
title: BindingDB Entry 50042294: p16(INK4a) Peptide mimetics identified via virtual screening.

description: Small molecule binding data for protein Cyclin-dependent kinase 6/G1/S-specific cyclin D1, Uniprot P24385 and Q00534
DOI: 10.7270/q2gq6ztt
title: BindingDB Entry 50040094: A new class of highly potent matrix metalloproteinase inhibitors based on triazole-substituted hydroxamates: (radio)synthesis and in vitro and first in vivo evaluation.

description: Small molecule binding data for protein Collagenase and Matrix Metalloproteinase-8 (MMP-8), Uniprot P08253, P14780, P22894, and P45452
DOI: 10.7270/q2ht2qhq
title: BindingDB Entry 50041040: First tricyclic oximino derivatives as 5-HT3 ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 4 (5-HT4), and Serotonin 2 (5-HT2) receptor, Uniprot P08908, P28221, P28222, P28223, P28335, P41595, and Q13639
DOI: 10.7270/q2kd2017
title: BindingDB Entry 50040520: Discovery of a series of 2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)acetamides as novel molecular switches that modulate modes of K(v)7.2 (KCNQ2) channel pharmacology: identification of (S)-2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a potent, brain penetrant K(v)7.2 channel inhibitor.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, KCNQ (Kv7) potassium channel, Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1, and Voltage-gated potassium channel subunit Kv7.2/Kv7.3, Uniprot O43525, O43526, P05177, P08684, P10635, P11712, P15382, P51787, and P56696
DOI: 10.7270/q2m61mkq
title: BindingDB Entry 50042293: Discovery of orally available integrin alpha5beta1 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08514, P08648, and P18084
DOI: 10.7270/q2mg7qk0
title: BindingDB Entry 50040093: Identification of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase-3a.

description: Small molecule binding data for protein Casein kinase I delta/epsilon, Cyclin-Dependent Kinase 5 (CDK5), Glycogen synthase kinase-3, Protein kinase C alpha type, and Serine/threonine-protein kinase Aurora, Uniprot O14965, P17252, P49674, P49840, P49841, Q00535, and Q15078
DOI: 10.7270/q2qz2c8p
title: BindingDB Entry 50042292: Design of O-acetylserine sulfhydrylase inhibitors by mimicking nature.

description: Small molecule binding data for protein Cysteine synthase, Uniprot P45040
DOI: 10.7270/q2v98998
title: BindingDB Entry 50041781: Identification and characterization of 4-chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide (GSK3787), a selective and irreversible peroxisome proliferator-activated receptor delta (PPARdelta) antagonist.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2zp4769
title: BindingDB Entry 50040098: Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q22v2hcr
title: BindingDB Entry 50041787: Discovery and optimization of RO-85, a novel drug-like, potent, and selective P2X3 receptor antagonist.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 3, P2X purinoceptor 4, P2X purinoceptor 5, P2X purinoceptor 6, P2X purinoceptor 7, P2X2/P2X3 receptor, and PurinergicP2X2/3, Uniprot O15547, P49654, P51575, P56373, Q93086, Q99571, Q99572, and Q9UBL9
DOI: 10.7270/q26m383g
title: BindingDB Entry 50041786: Synthesis, antimalarial and antitubercular activity of acetylenic chalcones.

description: Small molecule binding data for protein Falcipain-2
DOI: 10.7270/q27082q2
title: BindingDB Entry 50042296: One step radiosynthesis of 6-[(18)F]fluoronicotinic acid 2,3,5,6-tetrafluorophenyl ester ([(18)F]F-Py-TFP): a new prosthetic group for efficient labeling of biomolecules with fluorine-18.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q28w3fdz
title: BindingDB Entry 50040530: The development of first Staphylococcus aureus SplB protease inhibitors: phosphonic analogues of glutamine.

description: Small molecule binding data for protein Serine protease SplB, Uniprot Q53781
DOI: 10.7270/q29s1sbq
title: BindingDB Entry 50042304: Synthesis and characterization of high-affinity 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene-labeled fluorescent ligands for humanß-adrenoceptors.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2bc40ts
title: BindingDB Entry 50041785: Novel KCNQ2/Q3 agonists as potential therapeutics for epilepsy and neuropathic pain.

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv7.2/Kv7.3, Uniprot O43525 and O43526
DOI: 10.7270/q2c24xk1
title: BindingDB Entry 50041049: Analogue based design of MMP-13 (Collagenase-3) inhibitors.

description: Small molecule binding data for protein Collagenase, Uniprot P45452
DOI: 10.7270/q2fj2j3w
title: BindingDB Entry 50042303: Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domain.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2gt5pbw
title: BindingDB Entry 50041048: A new series of M3 muscarinic antagonists based on the 4-amino-piperidine scaffold.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3 and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172 and P20309
DOI: 10.7270/q2jd4xxh
title: BindingDB Entry 50040528: Structure-functional selectivity relationship studies ofß-arrestin-biased dopamine D2 receptor agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin receptor (2b and 2c), Uniprot P08908, P14416, P28223, P28335, and P41595
DOI: 10.7270/q2kh0pdq
title: BindingDB Entry 50040101: A selective, orally bioavailable 1,2,4-triazolo[1,5-a]pyridine-based inhibitor of Janus kinase 2 for use in anticancer therapy: discovery of CEP-33779.

description: Small molecule binding data for protein Cytochrome P450 3A, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P08684, P23458, and P52333
DOI: 10.7270/q2kw5h8j
title: BindingDB Entry 50041783: Hybrid molecules from xanomeline and tacrine: enhanced tacrine actions on cholinesterases and muscarinic M1 receptors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2mk6f2m
title: BindingDB Entry 50041047: Non-peptide alpha(v)beta(3) antagonists. Part 4: potent and orally bioavailable chain-shortened RGD mimetics.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2p55pms
title: BindingDB Entry 50040527: Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2pz5b49
title: BindingDB Entry 50042301: Combinatorial chemistry identifies high-affinity peptidomimetics against alpha4beta1 integrin for in vivo tumor imaging.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2q81f5w
title: BindingDB Entry 50040100: Structure-activity relationship study of selective excitatory amino acid transporter subtype 1 (EAAT1) inhibitor 2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101) and absolute configurational assignment using infrared and vibrational circ

description: Small molecule binding data for protein Excitatory Amino Acid EAAT2, Excitatory amino acid transporter 1, and Excitatory amino acid transporter 3, Uniprot P43003, P43004, and P43005
DOI: 10.7270/q2qj7jj3
title: BindingDB Entry 50041782: Synthesis and pharmacological evaluation of novel 1,3,8- and 1,3,7,8-substituted xanthines as adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2rb75sx
title: BindingDB Entry 50041046: Structure-activity relationships of non-imidazole H(3) receptor ligands. Part 2: binding preference for D-amino acids motifs.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 receptor, and Histamine H3 receptor, Uniprot P25021, P35367, and Q9QYN8
DOI: 10.7270/q2st7qzx
title: BindingDB Entry 50040526: Synthesis and evaluation of novela-fluorinated (E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone-O-methyl oxime (ABP688) derivatives as metabotropic glutamate receptor subtype 5 PET radiotracers.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Uniprot P31424
DOI: 10.7270/q2tq62t5
title: BindingDB Entry 50042300: Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis.

description: Small molecule binding data for protein Purine nucleoside phosphorylase, Uniprot P9WP01
DOI: 10.7270/q2v125vr
title: BindingDB Entry 50040099: Synthesis and nicotinic receptor activity of chemical space analogues of N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chlorobenzamide (PNU-282,987) and 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester (SSR180711).

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P17787, P36544, and P43681
DOI: 10.7270/q2w37xgt
title: BindingDB Entry 50041045: CoMFA and HQSAR of acylhydrazide cruzain inhibitors.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2xk8gn6
title: BindingDB Entry 50040525: Metaproterenol, isoproterenol, and their bisdimethylcarbamate derivatives as human cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2zg6th2
title: BindingDB Entry 50042299: Synthesis, pharmacological studies and molecular modeling of some tetracyclic 1,3-diazepinium chlorides.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit and GABA receptor alpha-2/beta-2/gamma-2 subunit, Uniprot P14867, P18507, P47869, and P47870
DOI: 10.7270/q21c1xzt
title: BindingDB Entry 50040532: The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530 and P25101
DOI: 10.7270/q22808wz
title: BindingDB Entry 50042306: LDV peptidomimetics equipped with biotinylated spacer-arms: synthesis and biological evaluation on CCRF-CEM cell line.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q23j3f4c
title: BindingDB Entry 50041051: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1D, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D2 receptor and serotonin 2a receptor, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, and Serotonin receptor (2b and 2c), Uniprot P08908, P08913, P14416, P18825, P21917, P28221, P28223, P28335, P34969, P35348, P35367, P35462, P61169, and Q4W594
DOI: 10.7270/q2542ppj
title: BindingDB Entry 50040531: Selective dual inhibitors of CYP19 and CYP11B2: targeting cardiovascular diseases hiding in the shadow of breast cancer.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 17A1, Cytochrome P450 3A, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P08684, P11511, P15538, and P19099
DOI: 10.7270/q26111mp
title: BindingDB Entry 50042305: Modeling the molecular basis fora4ß1 integrin antagonism.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2668f8j
title: BindingDB Entry 50040104: Structure and bioassay of triterpenoids and steroids isolated from Sinocalamus affinis.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q27945t7
title: BindingDB Entry 50041050: Biphenyls as potent vitronectin receptor antagonists.

description: Small molecule binding data for protein Integrin alpha-V/beta-3, Uniprot P05106 and P06756
DOI: 10.7270/q29c6zp1
title: BindingDB Entry 50041793: 3D QSAR studies on ketoamides of human cathepsin K inhibitors based on two different alignment methods.

description: Small molecule binding data for protein Cathepsin K, Uniprot P43235
DOI: 10.7270/q29z95z3
title: BindingDB Entry 50040103: Langkolide, a 32-membered macrolactone antibiotic produced by Streptomyces sp. Acta 3062.

description: Small molecule binding data for protein Glycogen synthase kinase-3 and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot P49841 and Q07343
DOI: 10.7270/q2dn4654
title: BindingDB Entry 50040529: Synthesis and study of 2-(pyrrolesulfonylmethyl)-N-arylimines: a new class of inhibitors for human glutathione transferase A1-1.

description: Small molecule binding data for protein Glutathione S-transferase (GST), Uniprot P08263
DOI: 10.7270/q2fq9xpf
title: BindingDB Entry 50040102: ¹²5I-radiolabeled morpholine-containing arginine-glycine-aspartate (RGD) ligand ofavß3 integrin as a molecular imaging probe for angiogenesis.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106 and P06756
DOI: 10.7270/q2hd7ws4
title: BindingDB Entry 50040536: Synthesis and pharmacological evaluation of indolinone derivatives as novel ghrelin receptor antagonists.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2jw8g45
title: BindingDB Entry 50041791: chi-Conopeptide pharmacophore development: toward a novel class of norepinephrine transporter inhibitor (Xen2174) for pain.

description: Small molecule binding data for protein Sodium-dependent noradrenaline transporter, Uniprot P23975
DOI: 10.7270/q2k938t6
title: BindingDB Entry 50042302: Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00918 and P00921
DOI: 10.7270/q2pn96vg
title: BindingDB Entry 50041790: Synthesis and structure-activity relationships of cyanoguanidine-type and structurally related histamine H4 receptor agonists.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P25021, P35367, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2qc04pj
title: BindingDB Entry 50041054: Synthesis and muscarinic M2 subtype antagonistic activity of unnatural ent-himbacine and an enantiomeric pair of (2'S,6'R)-diepihimbacine.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and Muscarinic receptor M2 and M3, Uniprot P08482 and P10980
DOI: 10.7270/q2rx9d6t
title: BindingDB Entry 50040534: Discovery of highly potent and selective small molecule ADAMTS-5 inhibitors that inhibit human cartilage degradation via encoded library technology (ELT).

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), ADAM17, ADAMTS1, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot O75173, P03956, P45452, P78536, Q9UHI8, and Q9UNA0
DOI: 10.7270/q2tb185f
title: BindingDB Entry 50041789: The replacement of His(4) in angiotensin IV by conformationally constrained residues provides highly potent and selective analogues.

description: Small molecule binding data for protein Aminopeptidase N, Angiotensin II receptor, and Cystinyl aminopeptidase, Uniprot P15144, P30556, and Q9UIQ6
DOI: 10.7270/q2v40wdw
title: BindingDB Entry 50041053: First dual NK(1) antagonists-serotonin reuptake inhibitors: synthesis and SAR of a new class of potential antidepressants.

description: Small molecule binding data for protein Neurokinin 1 receptor and Sodium-dependent serotonin transporter, Uniprot P25103 and P31652
DOI: 10.7270/q2wm1fhc
title: BindingDB Entry 50040533: Inhibition of human topoisomerases I and II by simocyclinone D8.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q2xg9sfk
title: BindingDB Entry 50042307: Identification of trans-4-[1-[[7-fluoro-2-(1-methyl-3-indolyl)-6-benzoxazolyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid as a potent, orally active VLA-4 antagonist.

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