cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2st7pg7
title: BindingDB Entry 50018809: Design and synthesis of novel isoquinoline-3-nitriles as orally bioavailable Kv1.5 antagonists for the treatment of atrial fibrillation.

description: Small molecule binding data for protein Voltage-gated potassium channel and Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460 and Q12809
DOI: 10.7270/q2t72h5p
title: BindingDB Entry 50021480: Next-generation spirobenzazepines: identification of RWJ-676070 as a balanced vasopressin V1a/V2 receptor antagonist for human clinical studies.

description: Small molecule binding data for protein AVPR1A, Vasopressin V1a receptor (V1a), Vasopressin V2 Receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P30560, P37288, and Q00788
DOI: 10.7270/q2tx3dz1
title: BindingDB Entry 50016901: Synthesis and structure-activity relationships of novel benzene sulfonamides with potent binding affinity for bovine carbonic anhydrase II.

description: Small molecule binding data for protein Carbonic anhydrase, Uniprot P00921
DOI: 10.7270/q2wm1d24
title: BindingDB Entry 50018830: Discovering inhibitors of human sirtuin type 2: novel structural scaffolds.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6
DOI: 10.7270/q2x066rm
title: BindingDB Entry 50021514: Discovery of small molecule CXCR4 antagonists.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2zp45pr
title: BindingDB Entry 50016896: Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q20c4vdn
title: BindingDB Entry 50018841: Novel carbazole derivatives as NPY Y1 antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q20r9p4p
title: BindingDB Entry 50021544: Discovery of small-molecule inhibitors of tyrosinase.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q21g0ktj
title: BindingDB Entry 50016926: Synthesis and evaluation of novel 8,6-fused bicyclic peptidomimetic compounds as interleukin-1beta converting enzyme inhibitors.

description: Small molecule binding data for protein Caspase-1, Caspase-3, and Caspase-8, Uniprot P29466, P42574, and Q14790
DOI: 10.7270/q2445m3x
title: BindingDB Entry 50018838: Synthesis of novel quinolone and quinoline-2-carboxylic acid (4-morpholin-4-yl-phenyl)amides: a late-stage diversification approach to potent 5HT1B antagonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B, Uniprot P28222
DOI: 10.7270/q24f1qgp
title: BindingDB Entry 50021543: Development of CXCR3 antagonists. Part 2: Identification of 2-amino(4-piperidinyl)azoles as potent CXCR3 antagonists.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q2571bj8
title: BindingDB Entry 50016925: 3-Arylpiperazinylethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione derivatives as novel, high-affinity and selective alpha(1)-adrenoceptor ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, and P21728
DOI: 10.7270/q27w6btx
title: BindingDB Entry 50018837: Study on dual-site inhibitors of acetylcholinesterase: Highly potent derivatives of bis- and bifunctional huperzine B.

description: Small molecule binding data for protein Acetylcholinesterase and Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P37136
DOI: 10.7270/q2862g5z
title: BindingDB Entry 50021541: Synthesis and characterization of trans-4-(4-chlorophenyl)pyrrolidine-3-carboxamides of piperazinecyclohexanes as ligands for the melanocortin-4 receptor.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P41968, P56450, and Q01726
DOI: 10.7270/q29023bw
title: BindingDB Entry 50016923: Biological evaluation of 1-alkyl-3-phenylthioureas as orally active HDL-elevating agents.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37230 and Q03181
DOI: 10.7270/q2cn73jn
title: BindingDB Entry 50018836: Design and study of some novel ibuprofen derivatives with potential nootropic and neuroprotective properties.

description: Small molecule binding data for protein Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q2cz36vh
title: BindingDB Entry 50021540: Activity of sulfonium bisphosphonates on tumor cell lines.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2dr2v2x
title: BindingDB Entry 50016922: Synthesis of a novel biotin-tagged photoaffinity probe for VEGF receptor tyrosine kinases.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P17948, and P35968
DOI: 10.7270/q2gq6xgx
title: BindingDB Entry 50021570: Stereoselective synthesis of a novel 2-aza-7-oxabicyclo[3.3.0]octane as neurokinin-1 receptor antagonist.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2hd7v9f
title: BindingDB Entry 50018835: Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P11086
DOI: 10.7270/q2hq3zm9
title: BindingDB Entry 50021539: Discovery of potent and selective adamantane-based small-molecule P2X(7) receptor antagonists/interleukin-1beta inhibitors.

description: Small molecule binding data for protein P2X purinoceptor 7, P2X purinoceptor 7 (P2X7), and Vasopressin V1a receptor (V1a), Uniprot P37288, Q64663, and Q99572
DOI: 10.7270/q2jh3krs
title: BindingDB Entry 50016921: Scaffold oriented synthesis. Part 1: Design, preparation, and biological evaluation of thienopyrazoles as kinase inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, CDK2/Cyclin A/Cyclin A1, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 8, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PLK1, and Vascular endothelial growth factor receptor 2, Uniprot O96013, P20248, P24941, P31749, P35968, P41279, P49137, P53350, P78396, and Q16539
DOI: 10.7270/q2mg7p73
title: BindingDB Entry 50021556: Spermatinamine, the first natural product inhibitor of isoprenylcysteine carboxyl methyltransferase, a new cancer target.

description: Small molecule binding data for protein Isoprenylcysteine carboxyl methyltransferase, Uniprot O60725
DOI: 10.7270/q2n58m0q
title: BindingDB Entry 50018834: Design and synthesis of conformationally constrained tri-substituted ureas as potent antagonists of the human glucagon receptor.

description: Small molecule binding data for protein Gastric inhibitory polypeptide receptor and Glucagon receptor, Uniprot P47871 and P48546
DOI: 10.7270/q2p84bf2
title: BindingDB Entry 50016920: New 7,8-ethylenedioxy-2,3-benzodiazepines as noncompetitive AMPA receptor antagonists.

description: Small molecule binding data for protein Glutamate kainate, Uniprot P22756
DOI: 10.7270/q2r78dzd
title: BindingDB Entry 50021555: Synthesis and characterization of 8-ethynyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives: new potent non-competitive metabotropic glutamate receptor 2/3 antagonists. Part 1.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q2rv0ncv
title: BindingDB Entry 50018831: Novel Schiff base copper complexes of quinoline-2 carboxaldehyde as proteasome inhibitors in human prostate cancer cells.

description: Small molecule binding data for protein 20S proteasome chymotrypsin-like, Uniprot P28074
DOI: 10.7270/q2t1535s
title: BindingDB Entry 50016919: Synthesis and biological evaluation of novel heterocyclic quinones as inhibitors of the dual specificity protein phosphatase CDC25C.

description: Small molecule binding data for protein Cdc25C, Uniprot P30307
DOI: 10.7270/q2vm4bxb
title: BindingDB Entry 50018843: Novel tetrahydroisoquinolines are histamine H3 antagonists and serotonin reuptake inhibitors.

description: Small molecule binding data for protein Histamine receptor (H3), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P31645, P31652, Q01959, and Q9Y5N1
DOI: 10.7270/q2w095p4
title: BindingDB Entry 50021552: Synthesis and in vivo activity of MK2 and MK2 substrate-selective p38alpha(MAPK) inhibitors in Werner syndrome cells.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 2, Uniprot P49137
DOI: 10.7270/q2xp74hx
title: BindingDB Entry 50016918: Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor.

description: Small molecule binding data for protein Cathepsin L1, Uniprot P07711
DOI: 10.7270/q20k284b
title: BindingDB Entry 50016935: Receptor flexibility in de novo ligand design and docking.

description: Small molecule binding data for protein Matrix metalloproteinase-1 (MMP1), Uniprot P03956
DOI: 10.7270/q2348k1f
title: BindingDB Entry 50018870: Transformation of mu-opioid receptor agonists into biologically potent mu-opioid receptor antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, and P97266
DOI: 10.7270/q23j3cq5
title: BindingDB Entry 50021587: Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Muscarinic acetylcholine receptor M1, Serotonin (5-HT) receptor, and Voltage-gated potassium channel, Uniprot P08908, P08913, P11229, P14416, P14842, P21728, P21918, P35367, P35462, P43140, and Q12809
DOI: 10.7270/q24749fb
title: BindingDB Entry 50016934: Selective inhibition of MCF-7(piGST) breast tumors using glutathione transferase-derived 2-methylene-cycloalkenones.

description: Small molecule binding data for protein Glutathione transferase (GST), Uniprot P09211 and V9HWE9
DOI: 10.7270/q269739h
title: BindingDB Entry 50021652: Scalarane sesterterpenes from a marine sponge of the genus Spongia and their FXR antagonistic activity.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q26w99q0
title: BindingDB Entry 50018861: Synthesis and SAR of novel 2-arylthiazolidinones as selective analgesic N-type calcium channel blockers.

description: Small molecule binding data for protein Voltage-gated calcium channel subunit alpha Cav2.2, Uniprot Q00975
DOI: 10.7270/q27944df
title: BindingDB Entry 50021584: Synthesis and biological evaluation of alpha-halogenated bisphosphonate and phosphonocarboxylate analogues of risedronate.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2805252
title: BindingDB Entry 50016933: Structure-based design and discovery of protein tyrosine phosphatase inhibitors incorporating novel isothiazolidinone heterocyclic phosphotyrosine mimetics.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and T-cell protein-tyrosine phosphatase, Uniprot P17706 and P18031
DOI: 10.7270/q2b27v0d
title: BindingDB Entry 50021650: Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2bp02f8
title: BindingDB Entry 50018854: Design and synthesis of a novel class of dual PPARgamma/delta agonists.

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/q2bz65s1
title: BindingDB Entry 50021583: Multiple N-methylation by a designed approach enhances receptor selectivity.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha-IIb/beta-3, and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08514, and P08648
DOI: 10.7270/q2cr5sx4
title: BindingDB Entry 50016931: Synthesis and SAR of highly potent dual 5-HT1A and 5-HT1B antagonists as potential antidepressant drugs.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Serotonin (5-HT) receptor, and Serotonin 1B/1D receptor, Uniprot P08908, P14416, P19327, P28222, P28223, P28335, P28564, P34969, P35462, and P47898
DOI: 10.7270/q2gf0t5m
title: BindingDB Entry 50018851: Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors.

description: Small molecule binding data for protein Caspase-1, Caspase-3, and Caspase-8, Uniprot P29466, P42574, and Q14790
DOI: 10.7270/q2hh6jnv
title: BindingDB Entry 50016930: Metalloform-selective inhibition: synthesis and structure-activity analysis of Mn(II)-form-selective inhibitors of Escherichia coli methionine aminopeptidase.

description: Small molecule binding data for protein Methionine Aminopeptidase (MAP), Uniprot P0AE18
DOI: 10.7270/q2k64hrj
title: BindingDB Entry 50018892: 2-triazole-substituted adenosines: a new class of selective A3 adenosine receptor agonists, partial agonists, and antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, and Adenosine receptor A3, Uniprot P0DMS8, P28647, P29274, and P30542
DOI: 10.7270/q2kh0n2t
title: BindingDB Entry 50021640: Discovery of indenopyrazoles as EGFR and VEGFR-2 tyrosine kinase inhibitors by in silico high-throughput screening.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2m61jxc
title: BindingDB Entry 50018850: DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2n879ck
title: BindingDB Entry 50016929: Estrogen receptor beta selective ligands: discovery and SAR of novel heterocyclic ligands.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), and Estrogen receptor, Uniprot P03372, Q62986, and Q92731
DOI: 10.7270/q2q81ctk
title: BindingDB Entry 50021607: Diaryl dihydropyrazole-3-carboxamides with significant in vivo antiobesity activity related to CB1 receptor antagonism: synthesis, biological evaluation, and molecular modeling in the homology model.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2qz29mb
title: BindingDB Entry 50018846: 1,3-Disubstituted-imidazo[1,5-a]pyrazines as insulin-like growth-factor-I receptor (IGF-IR) inhibitors.

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2r210z2
title: BindingDB Entry 50016945: Synthesis and monoamine transporter affinity of new 2beta-carbomethoxy-3beta-[aryl or heteroaryl]phenyltropanes.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2s18239
title: BindingDB Entry 50016928: Novel triazole based inhibitors of Ras farnesyl transferase.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356
DOI: 10.7270/q2v124j9
title: BindingDB Entry 50021597: N-(2-Amino-phenyl)-4-(heteroarylmethyl)-benzamides as new histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2ws8stx
title: BindingDB Entry 50016927: Discovery of novel 1-arylmethyl pyrrolidin-2-yl ethanol amines as calcium-sensing receptor antagonists.

description: Small molecule binding data for protein Calcium sensing receptor and Calcium-sensing receptor (CaSR), Uniprot P41180 and P48442
DOI: 10.7270/q2zg6rw5
title: BindingDB Entry 50018874: Cathepsin A is the major hydrolase catalyzing the intracellular hydrolysis of the antiretroviral nucleotide phosphonoamidate prodrugs GS-7340 and GS-9131.

description: Small molecule binding data for protein Carboxylesterase, Cathepsin A (CTSA), and Leukocyte elastase, Uniprot P08246, P10619, and Q29550
DOI: 10.7270/q2zs2w8b
title: BindingDB Entry 50021595: Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase VIII, and Voltage-gated potassium channel, Uniprot P27487, Q12809, and Q6V1X1
DOI: 10.7270/q21j99h9
title: BindingDB Entry 50021713: Synthesis of natural product-inspired inhibitors of Mycobacterium tuberculosis mycothiol-associated enzymes: the first inhibitors of GlcNAc-Ins deacetylase.

description: Small molecule binding data for protein LmbE-related protein and Mycothiol S-conjugate amidase, Uniprot P9WJN1 and P9WJN3
DOI: 10.7270/q2280771
title: BindingDB Entry 50018901: Structure-activity relationship analysis of the selective inhibition of transglutaminase 2 by dihydroisoxazoles.

description: Small molecule binding data for protein Protein-glutamine gamma-glutamyltransferase 2 (TG2), Uniprot P21980 and Q9H035
DOI: 10.7270/q22j6bm7
title: BindingDB Entry 50021658: Antibacterial oxazolidinones possessing a novel C-5 side chain. (5R)-trans-3-[3-Fluoro-4- (1-oxotetrahydrothiopyran-4-yl)phenyl]-2- oxooxazolidine-5-carboxylic acid amide (PF-00422602), a new lead compound.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11712, P21397, and P33261
DOI: 10.7270/q23b5zpf
title: BindingDB Entry 50016952: N-Sulfonyl hydroxamate derivatives as inhibitors of class II fructose-1,6-diphosphate aldolase.

description: Small molecule binding data for protein Fructose-bisphosphate aldolase A and Fructose-bisphosphate aldolase class 2, Uniprot P00883 and P0AB71
DOI: 10.7270/q25x28mm
title: BindingDB Entry 50018897: Discovery of 3-methyl-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-ylmethyl)benzamide (ABT-670), an orally bioavailable dopamine D4 agonist for the treatment of erectile dysfunction.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21917, P30729, and P61169
DOI: 10.7270/q2708107
title: BindingDB Entry 50016951: 3-Substituted indolizine-1-carbonitrile derivatives as phosphatase inhibitors.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Probable low molecular weight protein-tyrosine-phosphatase, Protein Tyrosine Phosphatase PTPB, Protein-tyrosine phosphatase 1B, and phosphatase Cdc25, Uniprot P18031, P30304, P51452, and P9WIA1
DOI: 10.7270/q29p319w
title: BindingDB Entry 50018896: High antiplasmodial activity of novel plasmepsins I and II inhibitors.

description: Small molecule binding data for protein Plasmepsin 2 and Plasmepsin I, Uniprot P39898 and P46925
DOI: 10.7270/q2br8rqv
title: BindingDB Entry 50016949: Design and preparation of 2-benzamido-pyrimidines as inhibitors of IKK.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator, Inhibitor of NF-kappa-B kinase (IKK), and Inhibitor of nuclear factor kappa B kinase alpha subunit, Uniprot O14920, O15111, and Q9Y6K9
DOI: 10.7270/q2dv1jm1
title: BindingDB Entry 50021692: Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.

description: Small molecule binding data for protein Quinone reductase 1), Uniprot P15559
DOI: 10.7270/q2ff3s17
title: BindingDB Entry 50018894: Fluorinated conformationally restricted gamma-aminobutyric acid aminotransferase inhibitors.

description: Small molecule binding data for protein Gamma-amino-N-butyrate transaminase, Uniprot P80147
DOI: 10.7270/q2fq9wc0
title: BindingDB Entry 50021647: Design and synthesis of indole-based peptoids as potent noncompetitive antagonists of transient receptor potential vanilloid 1.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 and Vanilloid receptor, Uniprot O35433, P35439, and Q00959
DOI: 10.7270/q2gh9hhg
title: BindingDB Entry 50016947: Optimization of CCR4 antagonists: side-chain exploration.

description: Small molecule binding data for protein C-C chemokine receptor type 4 (CCR4), Uniprot P51679
DOI: 10.7270/q2jh3kx1
title: BindingDB Entry 50021674: Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2k9372x
title: BindingDB Entry 50016961: N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: mode of binding in a complex with MMP-8.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), and Stromelysin-1, Uniprot P08253, P08254, and P22894
DOI: 10.7270/q2m9087r
title: BindingDB Entry 50016946: Toll-like receptor 2 antagonists. Part 1: preliminary SAR investigation of novel synthetic phospholipids.

description: Small molecule binding data for protein Toll-like receptor 2 (TLR2) and Toll-like receptor 4, Uniprot O00206 and O60603