cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2zc8167
title: BindingDB Entry 3423: Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, Dihydrofolate reductase (DHFR), Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 2, Uniprot P00374, P00375, P00533, P09619, P16184, P35968, Q07422, and Q920D2
DOI: 10.7270/q20z71qr
title: BindingDB Entry 4359: SAR analysis of GM-Tri-DAP induced IL-8 secretion in MCF-7/NOD1 cells - Set 2

description: Small molecule binding data for protein Interleukin-8, Uniprot P10145
DOI: 10.7270/q21z42pw
title: BindingDB Entry 2113: Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2251ghv
title: BindingDB Entry 3435: Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.

description: Small molecule binding data for protein Cathepsin S, Uniprot P25774
DOI: 10.7270/q24m930q
title: BindingDB Entry 4358: SAR analysis of Tumor necrosis factor alpha (TNF-alpha) induced IL-8 secretion in MCF-7/NOD1 cells - Set 2

description: Small molecule binding data for protein Interleukin-8, Uniprot P10145
DOI: 10.7270/q25q4tbb
title: BindingDB Entry 2111: Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q25x278q
title: BindingDB Entry 3433: Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes.

description: Small molecule binding data for protein PKC alpha and beta-2, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Protein Kinase C, eta, Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, and Protein kinase C, epsilon, Uniprot P05771, P17252, P24723, Q02156, Q04759, Q05655, and Q07869
DOI: 10.7270/q28c9tp6
title: BindingDB Entry 4357: SAR analysis of Muramyl dipeptide (MDP) induced IL-8 secretion in MCF-7/NOD2 cells - Set 2

description: Small molecule binding data for protein Interleukin-8, Uniprot P10145
DOI: 10.7270/q29g5k22
title: BindingDB Entry 2109: Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q29p300f
title: BindingDB Entry 3432: Vinylogous ureas as a novel class of inhibitors of reverse transcriptase-associated ribonuclease H activity.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase, HIV-2 Reverse Transcriptase, Ribonuclease H, and Ribonuclease H1, Uniprot O60930 and P0A7Y4
DOI: 10.7270/q2c53j9j
title: BindingDB Entry 4364: G6DPH counterscreen for TbHK1 inhibitors - Analogues series

description: Small molecule binding data for protein glucose-6-phosphate dehydrogenase, Uniprot P11411
DOI: 10.7270/q2d50kdg
title: BindingDB Entry 4356: SAR analysis of small molecule agonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 2

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2f769tt
title: BindingDB Entry 2107: Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity.

description: Small molecule binding data for protein Protein kinase B (Akt 1), Protein kinase C (PKC), Protein kinase C, gamma, Serine/threonine-protein kinase AKT, and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P05129, P31751, Q05513, and Q9Y243
DOI: 10.7270/q2ff3qqc
title: BindingDB Entry 3430: HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase RNase H, HIV-1 Reverse Transcriptase RNase H Mutant (D67N/K70R/T215F/K219Q), HIV-1 Reverse Transcriptase RNase H Mutant (L100I/K103N), HIV-1 Reverse Transcriptase RNase H Mutant (V106A/Y181C), HIV-1 Reverse Transcriptase RNase H Mutant (Y181C), and HIV-1 Reverse Transcriptase RNase H Mutant (Y188L)
DOI: 10.7270/q2hx1b4w
title: BindingDB Entry 4355: SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 2

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2j67f9q
title: BindingDB Entry 3440: Identification of a Bis-guanylhydrazone [4,4 -Diacetyldiphenylurea-bis(guanylhydrazone); NSC 109555] as a novel chemotype for inhibition of Chk2 kinase.

description: Small molecule binding data for protein Checkpoint Kinase (Chk2)
DOI: 10.7270/q2k072jj
title: BindingDB Entry 2105: Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers.

description: Small molecule binding data for protein Protein kinase B (Akt 1)
DOI: 10.7270/q2k64gdn
title: BindingDB Entry 3429: Thrombin 1536 HTS Dose Response Confirmation

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2mp51qt
title: BindingDB Entry 4362: Luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1)

description: Small molecule binding data for protein NADPH oxidase 1, Uniprot Q9Y5S8
DOI: 10.7270/q2pr7t74
title: BindingDB Entry 2102: Structure-activity relationship studies of a series of peptidomimetic ligands for alpha(4) beta(1) integrin on Jurkat T-leukemia cells.

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4)
DOI: 10.7270/q2pv6hqb
title: BindingDB Entry 3428: Factor XIIa Dose Response Confirmation from Single Well HTS

description: Small molecule binding data for protein Factor XIIa, Uniprot P00748
DOI: 10.7270/q2rf5sgm
title: BindingDB Entry 4361: Late stage results from the probe development effort to identify inhibitors of NOX1: HEK/293 IC50

description: Small molecule binding data for protein NADPH oxidase 1, Uniprot Q9Y5S8
DOI: 10.7270/q2sf2tnf
title: BindingDB Entry 4353: SAR Analysis of Agonists of the MOR Receptor using an Image-Based Assay - Set 2

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2td9vm1
title: BindingDB Entry 2098: Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists.

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4) and Integrin alpha4beta7, Uniprot P26010
DOI: 10.7270/q2w66j7s
title: BindingDB Entry 4360: Late stage results from the probe development effort to identify selective agonists of the Transient Receptor Potential Channels 3 (TRPML3): fluorescence-based cell-based dose response assay for TRPML3 agonists

description: Small molecule binding data for protein MCOLN3 protein, Uniprot Q8TDD5
DOI: 10.7270/q2xd100h
title: BindingDB Entry 3436: Structure-based design of novel human Pin1 inhibitors (I).

description: Small molecule binding data for protein PPIase Pin1, Uniprot Q13526
DOI: 10.7270/q2z60m9v
title: BindingDB Entry 2096: Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4) and Integrin alpha4beta7, Uniprot P26010
DOI: 10.7270/q20000js
title: BindingDB Entry 4367: Mode of action assay-Automated electrophysiology assay of compounds that potentiate KCNQ2 potassium channel

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv7.2, Uniprot O88943
DOI: 10.7270/q2125qwv
title: BindingDB Entry 2127: Pyridone derivatives as potent and selective VLA-4 integrin antagonists

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4)
DOI: 10.7270/q2154fcg
title: BindingDB Entry 3448: Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase.

description: Small molecule binding data for protein Sarco/endoplasmic Reticulum Ca2+ ATPase 1, Uniprot P04191
DOI: 10.7270/q23r0r98
title: BindingDB Entry 4366: Confirmation dose response assay for compounds that inhibit/block inward-rectifying potassium ion channel Kir2.1

description: Small molecule binding data for protein inward rectifier potassium channel 2, Uniprot P35561
DOI: 10.7270/q24q7s8v
title: BindingDB Entry 2125: Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists.

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4)
DOI: 10.7270/q24x564b
title: BindingDB Entry 3445: Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides.

description: Small molecule binding data for protein Carbonic Anhydrase 2 (Can2) and beta-Carbonic Anhydrase, Uniprot Q5AJ71
DOI: 10.7270/q26h4fvr
title: BindingDB Entry 4373: SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro dose response studies - Set 2

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 22, Uniprot Q9Y2R2
DOI: 10.7270/q27d2sm8
title: BindingDB Entry 4365: Late stage counterscreen for the probe development effort to identify selective agonists of the Transient Receptor Potential Channels 3 (TRPML3): fluorescence-based cell-based dose response assay for TRPN1 agonists.

description: Small molecule binding data for protein transient receptor potential cation channel, subfamily N, member 1, Uniprot Q7T1G6
DOI: 10.7270/q28g8hzq
title: BindingDB Entry 2124: Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2) and Glycogen Synthase Kinase-3, beta, Uniprot P18266, P20248, and P24941
DOI: 10.7270/q28p5xv8
title: BindingDB Entry 3444: Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGM), Uniprot P00489
DOI: 10.7270/q2b56h6m
title: BindingDB Entry 4372: SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro dose response studies - Set 2

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 22, Uniprot Q9Y2R2
DOI: 10.7270/q2d798pf
title: BindingDB Entry 2123: Structural basis for Chk1 inhibition by UCN-01.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), and Serine/threonine-protein kinase Chk1, Uniprot O14757, P06493, P11802, P20248, P24385, and P24941
DOI: 10.7270/q2df6pk0
title: BindingDB Entry 3441: Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGM) and Hexokinase type IV, Uniprot P00489 and P35557
DOI: 10.7270/q2gx490h
title: BindingDB Entry 4363: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Xanthine Oxidase

description: Small molecule binding data for protein NADPH oxidase 1, Uniprot Q9Y5S8
DOI: 10.7270/q2h70d5w
title: BindingDB Entry 3452: HIV-1 RT-RNase H  MLSCN MH077605 Probe Assessment: Dose response Assay

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2j101f5
title: BindingDB Entry 2117: Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor X/antithrombin III, Factor Xa (fXa), Prothrombin, and Trypsin, Uniprot P00734, P00742, P00760, and Q63207
DOI: 10.7270/q2kp80kf
title: BindingDB Entry 4370: Dose response of Retigabine-insensitive compounds that potentiate KCNQ2 potassium channel

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv7.2, Uniprot O88943
DOI: 10.7270/q2n014w6
title: BindingDB Entry 3451: HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1

description: Small molecule binding data for protein Bfl-1, Uniprot Q07440
DOI: 10.7270/q2ns0s56
title: BindingDB Entry 2116: p38 MAP kinase inhibitors. Part 3: SAR on 3,4-dihydropyrimido[4,5-d]pyrimidin-2-ones and 3,4-dihydropyrido[4,3-d]pyrimidin-2-ones.

description: Small molecule binding data for protein MAP kinase p38, Uniprot P47811
DOI: 10.7270/q2nz860p
title: BindingDB Entry 3439: Tetraiodobenzimidazoles are potent inhibitors of protein kinase CK2.

description: Small molecule binding data for protein Casein Kinase II, Uniprot P19139
DOI: 10.7270/q2qf8r9s
title: BindingDB Entry 4369: Discovery of Novel Allosteric Modulators of the M1 Muscarinic Receptor:  PAM Calcium Assay SAR

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482
DOI: 10.7270/q2rj4gr4
title: BindingDB Entry 2129: Selection of a 2-azabicyclo[2.2.2]octane-based alpha4beta1 integrin antagonist as an inhaled anti-asthmatic agent.

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4) and Integrin alpha4beta7, Uniprot P26010
DOI: 10.7270/q2sj1hv2
title: BindingDB Entry 2115: Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1.

description: Small molecule binding data for protein 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1), 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (A162V), 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (E166D), 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (L159M), 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (T222A), 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T), and 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T/T222A)
DOI: 10.7270/q2sn0797
title: BindingDB Entry 3437: Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2v69h1h
title: BindingDB Entry 4368: Dosage response for compounds that protect hERG from block by proarrhythmic agents using manual patch clamp

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2wd3xx7
title: BindingDB Entry 3449: Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation.

description: Small molecule binding data for protein Sarco/endoplasmic Reticulum Ca2+ ATPase 1, Uniprot P04191
DOI: 10.7270/q2x928jb
title: BindingDB Entry 2114: Structural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibition.

description: Small molecule binding data for protein 3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)
DOI: 10.7270/q2028ptc
title: BindingDB Entry 2140: Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.

description: Small molecule binding data for protein Coagulation factor VII, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin, and Urokinase-type plasminogen activator, Uniprot P00734, P00742, P00747, P00749, P00750, P00760, P03951, and P08709
DOI: 10.7270/q2057d90
title: BindingDB Entry 3460: N-acylpolyamine inhibitors of HDM2 and HDMX binding to p53.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2 and p53-Binding Protein HDMX, Uniprot O15151 and Q00987
DOI: 10.7270/q21r6p02
title: BindingDB Entry 4382: Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically LAP4 based on MLPCN hits

description: Small molecule binding data for protein LAP4, Uniprot P14904
DOI: 10.7270/q22r3q4f
title: BindingDB Entry 4374: Absorbance Microorganism Dose Retest to Identify Inhibitors of Vibrio harveyi

description: Small molecule binding data for protein Alkanal monooxygenase alpha chain, Uniprot P07740
DOI: 10.7270/q23t9fgw
title: BindingDB Entry 2139: A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1), Uniprot P14061
DOI: 10.7270/q23x850z
title: BindingDB Entry 3459: Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309 and Q9P1W9
DOI: 10.7270/q27h1gvb
title: BindingDB Entry 2138: Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Uniprot P42330
DOI: 10.7270/q27p8wqw
title: BindingDB Entry 3454: Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as potent, highly selective, and orally bioavailable inhibitors of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM) kinases.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309, Q86V86, and Q9P1W9
DOI: 10.7270/q2c827jm
title: BindingDB Entry 2137: Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Trypsin, Uniprot P00742 and P00760
DOI: 10.7270/q2cf9nfm
title: BindingDB Entry 3453: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate

description: Small molecule binding data for protein MPI protein, Uniprot P34949
DOI: 10.7270/q2f18x5f
title: BindingDB Entry 4379: Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically MEP2 based on MLPCN hits

description: Small molecule binding data for protein MEP2, Uniprot P41948
DOI: 10.7270/q2fx77w5
title: BindingDB Entry 4371: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): Synthesized analogs

description: Small molecule binding data for protein NADPH oxidase 1, Uniprot Q9Y5S8
DOI: 10.7270/q2h1308b
title: BindingDB Entry 2136: Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Trypsin, Uniprot P00742 and P00760
DOI: 10.7270/q2jq0zgp
title: BindingDB Entry 4378: Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically RPL19A based on MLPCN hits

description: Small molecule binding data for protein RPL19A, Uniprot P0CX83,P0CX82
DOI: 10.7270/q2m043rt
title: BindingDB Entry 3466: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity.

description: Small molecule binding data for protein Protein kinase C delta type and Protein kinase C theta type, Uniprot Q04759 and Q05655
DOI: 10.7270/q2ms3r1t
title: BindingDB Entry 2130: Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2pg1q5z
title: BindingDB Entry 4377: Luminescence Microorganism Dose Retest to Identify Inhibitors of the AI-2 Quorum Sensing System

description: Small molecule binding data for protein Alkanal monooxygenase alpha chain, Uniprot P07740
DOI: 10.7270/q2rr1wks
title: BindingDB Entry 3450: Indene-based frameworks targeting the 5-HT6 serotonin receptor: ring constraint in indenylsulfonamides using cyclic amines and structurally abbreviated counterparts.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2t72fw8
title: BindingDB Entry 4376: Absorbance Microorganism-Based Dose Retest to Identify Inhibitors of Vibrio harveyi

description: Small molecule binding data for protein LuxS, Uniprot B0LUE4
DOI: 10.7270/q2v986bg
title: BindingDB Entry 2141: 4-aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2vh5m54
title: BindingDB Entry 3462: 4-(3-Aryloxyaryl)quinoline alcohols are liver X receptor agonists

description: Small molecule binding data for protein Liver X Receptor alpha (LXR-alpha) and Liver X Receptor beta (LXR-beta)
DOI: 10.7270/q2w957fd
title: BindingDB Entry 2128: 2,6-Quinolinyl derivatives as potent VLA-4 antagonists.

description: Small molecule binding data for protein Integrin alpha4beta1 (VLA-4)
DOI: 10.7270/q2z036m0
title: BindingDB Entry 4375: Luminescence Microorganism-Based Dose Retest to Identify Modulators of the AI-2 Quorum Sensing System

description: Small molecule binding data for protein LuxS, Uniprot B0LUE4
DOI: 10.7270/q22v2ddz
title: BindingDB Entry 2154: Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.

description: Small molecule binding data for protein Methionine aminopeptidase 2, Uniprot P50579
DOI: 10.7270/q22z13w5
title: BindingDB Entry 3476: Development of a highly water-soluble peptide-based human neutrophil elastase inhibitor; AE-3763 for treatment of acute organ injury.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q24j0ckj
title: BindingDB Entry 4389: Luminescence Cell-Based Dose Retest to Identify Inhibitors of A1 Apoptosis

description: Small molecule binding data for protein Bcl-2-like protein 11, Uniprot O43521
DOI: 10.7270/q25h7drt
title: BindingDB Entry 4381: Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically CIT2 based on MLPCN hits

description: Small molecule binding data for protein citrate synthase 2
DOI: 10.7270/q26m3537
title: BindingDB Entry 2153: 4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo.

description: Small molecule binding data for protein Methionine aminopeptidase 2, Uniprot P50579
DOI: 10.7270/q26q1vk2
title: BindingDB Entry 3474: Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), Serotonin receptor (2b and 2c), and Sodium-dependent noradrenaline transporter, Uniprot P23975, P28223, P28335, P41595, and P50406