cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q24b2zhc
title: BindingDB Entry 835: 4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitriles as Potent Src Kinase

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2668bg0
title: BindingDB Entry 2650: Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P00813
DOI: 10.7270/q2cv4fxn
title: BindingDB Entry 833: Identification of 7-Phenylaminothieno[3,2-b]pyridine-6-carbonitriles as a New Class of Src Kinase Inhibitors

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2fq9tww
title: BindingDB Entry 2648: A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P00813
DOI: 10.7270/q2gm85h0
title: BindingDB Entry 842: Bis(1H-2-indolyl)methanones as a Novel Class of Inhibitors of the Platelet-Derived Growth Factor Receptor Kinase.

description: Small molecule binding data for protein Platelet-derived growth factor receptor beta, Uniprot P09619
DOI: 10.7270/q2hm56nc
title: BindingDB Entry 830: Synthesis and Discovery of Pyrazine-Pyridine Biheteroaryl as a Novel Series of Potent Vascular Endothelial Growth Factor Receptor-2 Inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Epidermal growth factor receptor, Fibroblast growth factor receptor 2, Glycogen Synthase Kinase-3, beta, Insulin receptor, Platelet-derived growth factor receptor beta, VEGFR-2 (KDR), and cAMP-Dependent Protein Kinase (PKA), Uniprot O08775, P00517, P00533, P06213, P06493, P09619, P14635, and P21802
DOI: 10.7270/q2kd1w6v
title: BindingDB Entry 2645: Evaluation of histamine H1-, H2-, and H3-receptor ligands at the human histamine H4 receptor: identification of 4-methylhistamine as the first potent and selective H4 receptor agonist.

description: Small molecule binding data for protein Histamine receptor (H3) and Histamine receptor (H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q2mc8x7b
title: BindingDB Entry 840: Biochemical and Cellular Effects of c-Src Kinase-Selective Pyrido[2,3-d]pyrimidine Tyrosine Kinase Inhibitors

description: Small molecule binding data for protein Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Platelet-derived growth factor receptor beta, SRC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00533, P06239, P09619, P11362, and P12931
DOI: 10.7270/q2q52mwq
title: BindingDB Entry 2642: Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.

description: Small molecule binding data for protein Acetylcholinesterase, Acyl-CoA: cholesterol acyltransferase (ACAT), Cholinesterase, and Factor XIIa, Uniprot P00748, P06276, P22303, and P23141
DOI: 10.7270/q2r49p0h
title: BindingDB Entry 839: Further studies on ethenyl and ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of a subnanomolar Src kinase inhibitor

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2tx3cnk
title: BindingDB Entry 2631: Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

description: Small molecule binding data for protein Acetylcholinesterase, Acyl-CoA: cholesterol acyltransferase (ACAT), Carboxylesterase 1, Cholinesterase, and Factor XIIa, Uniprot P00748, P06276, P12337, P22303, and P23141
DOI: 10.7270/q2vx0drh
title: BindingDB Entry 837: Further studies on ethenyl and ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of a subnanomolar Src kinase inhibitor

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2zp44dr
title: BindingDB Entry 2621: Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

description: Small molecule binding data for protein Acetylcholinesterase, Acyl-CoA: cholesterol acyltransferase (ACAT), Carboxylesterase 1, Cholinesterase, and Factor XIIa, Uniprot P00748, P06276, P12337, P22303, and P23141
DOI: 10.7270/q2736p3q
title: BindingDB Entry 848: Structure-Based Generation of a New Class of Potent Cdk4 Inhibitors: New de Novo Design Strategy and Library Design.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802
DOI: 10.7270/q290222w
title: BindingDB Entry 2666: Synthesis and biological evaluation of phenolic Mannich bases of benzaldehyde and (thio)semicarbazone derivatives against the cysteine protease falcipain-2 and a chloroquine resistant strain of Plasmodium falciparum.

description: Small molecule binding data for protein Falcipain-2
DOI: 10.7270/q29w0cpw
title: BindingDB Entry 866: Novel, Potent and Selective Cyclin D1/CDK4 Inhibitors: Indolo[6,7-a]pyrrolo[3,4-c]carbazoles

description: Small molecule binding data for protein CDK2/CycE, CaM Kinase II, Cyclin-Dependent Kinase 4 (CDK4), and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P11275, P11802, P24385, P24864, and P24941
DOI: 10.7270/q29z936d
title: BindingDB Entry 2649: Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P00813
DOI: 10.7270/q2bv7ds8
title: BindingDB Entry 845: A Novel Approach for the Development of Selective Cdk4 Inhibitors: Library Design Based on Locations of Cdk4 Specific Amino Acid Residues.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 6 (CDK6), Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Platelet-derived growth factor receptor beta, SRC, Tyrosine-protein kinase ZAP-70, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor, Uniprot L7RSL3, P00533, P06239, P06493, P09619, P11362, P11802, P12931, P14635, P17948, P20248, P24941, P43403, and Q00534
DOI: 10.7270/q2dr2ssh
title: BindingDB Entry 2660: Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase

description: Small molecule binding data for protein Fatty Acid Amide Hydrolase, Fatty-acid amide hydrolase 1 (FAAH), and Triacylglycerol Hydrolase, Uniprot O00519, P18858, and Q8TDZ9
DOI: 10.7270/q2fn14c5
title: BindingDB Entry 863: Studies on Cyclin-Dependent Kinase Inhibitors: Indolo-[2,3-a]pyrrolo[3,4-c]carbazoles versus Bis-indolylmaleimides

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 4 (CDK4), and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P11802, P24385, P24864, and P24941
DOI: 10.7270/q2jh3jgs
title: BindingDB Entry 2657: New N-arachidonoylserotonin analogues with potential "dual" mechanism of action against pain.

description: Small molecule binding data for protein Anandamide amidohydrolase and Transient receptor potential cation channel subfamily V member 1, Uniprot P97612 and Q8NER1
DOI: 10.7270/q2p55kss
title: BindingDB Entry 2656: NAD+-dependent DNA ligase (Rv3014c) from Mycobacterium tuberculosis: novel structure-function relationship and identification of a specific inhibitor.

description: Small molecule binding data for protein Bacteriophage T4 DNA Ligase, DNA Ligase (MtuLigA), and DNA Ligase I, Uniprot P00970, P18858, and P9WNV1
DOI: 10.7270/q2q52mtt
title: BindingDB Entry 859: 1,7-Annulated indolocarbazoles as cyclin-dependent kinase inhibitors.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2sx6bgr
title: BindingDB Entry 2655: NAD+-dependent DNA Ligase (Rv3014c) from Mycobacterium tuberculosis. Crystal structure of the adenylation domain and identification of novel inhibitors.

description: Small molecule binding data for protein Bacteriophage T4 DNA Ligase, DNA Ligase (MtuLigA), and DNA Ligase I, Uniprot P00970, P18858, and P9WNV1
DOI: 10.7270/q2tx3ckp
title: BindingDB Entry 857: Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 4 (CDK4), and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P11802, P24385, P24864, and P24941
DOI: 10.7270/q2xp736g
title: BindingDB Entry 2652: Biochemically based design of cyclooxygenase-2 (COX-2) inhibitors: facile conversion of nonsteroidal antiinflammatory drugs to potent and highly selective COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-2 (COX-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P35354, and Q05769
DOI: 10.7270/q2zp44bv
title: BindingDB Entry 851: Aminoimidazo[1,2-a]pyridines as a new structural class of cyclin-dependent kinase inhibitors. Part 1: Design, synthesis, and biological evaluation.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q21g0jjj
title: BindingDB Entry 2668: Synthesis and Biological Evaluation of d-Amino Acid Oxidase Inhibitors.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot P00371
DOI: 10.7270/q22f7knx
title: BindingDB Entry 886: 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogues as Novel and Potent Anticancer Cyclin-Dependent Kinase Inhibitors: Synthesis and Evaluation of Biological Activities

description: Small molecule binding data for protein CaM Kinase II, Casein kinase I delta, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), ERK-2, Epidermal growth factor receptor, Fibroblast growth factor receptor 2, Glycogen Synthase Kinase-3, beta, Insulin receptor, Platelet-derived growth factor receptor beta, VEGFR-2 (KDR), and cAMP-Dependent Protein Kinase (PKA), Uniprot O08775, P00517, P00533, P06213, P06493, P09619, P11275, P14635, P20248, P21802, P24941, P25322, P30285, P63086, and Q06486
DOI: 10.7270/q247484w
title: BindingDB Entry 2677: Identification of a potent botulinum neurotoxin a protease inhibitor using in situ lead identification chemistry.

description: Small molecule binding data for protein Botulinum Neurotoxin Type A
DOI: 10.7270/q257199q
title: BindingDB Entry 2667: Asymmetric synthesis and biological evaluation of the enantiomeric isomers of the immunosuppressive FTY720-phosphate.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2668bcn
title: BindingDB Entry 883: Synthesis, structure-activity relationship, and biological studies of indolocarbazoles as potent cyclin D1-CDK4 inhibitors.

description: Small molecule binding data for protein CDK2/CycE, CaM Kinase II, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P06493, P11275, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q28050wn
title: BindingDB Entry 2676: An in vitro and in vivo disconnect uncovered through high-throughput identification of botulinum neurotoxin A antagonists.

description: Small molecule binding data for protein Botulinum Neurotoxin Type A
DOI: 10.7270/q2cr5rn4
title: BindingDB Entry 2674: Identification and activity of a series of azole-based compounds with lactate dehydrogenase-directed anti-malarial activity.

description: Small molecule binding data for protein Lactate Dehydrogenase and Lactate dehydrogenase B (LDHB), Uniprot P07195 and Q27743
DOI: 10.7270/q2hh6hcv
title: BindingDB Entry 2672: Design, synthesis, and biological evaluation of Plasmodium falciparum lactate dehydrogenase inhibitors.

description: Small molecule binding data for protein Bcl-xL/BAK, Lactate Dehydrogenase, Malate Dehydrogenase (pfMDH), Malate Dehydrogenase, mitochondrial, and Malate dehydrogenase cytoplasmic, Uniprot P00346, P11708, Q07817, Q27743, and Q5E9B1
DOI: 10.7270/q2jd4tzq
title: BindingDB Entry 896: Quinazolines as Cyclin Dependent Kinase Inhibitors

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2kd1w3h
title: BindingDB Entry 861: Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 4 (CDK4), and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P11802, P24385, P24864, and P24941
DOI: 10.7270/q2n87824
title: BindingDB Entry 2671: Substrate specificity analysis and inhibitor design of homoisocitrate dehydrogenase.

description: Small molecule binding data for protein Homoisocitrate Dehydrogenase (HICDH), Uniprot P40495 and Q76G12
DOI: 10.7270/q2p55kpf
title: BindingDB Entry 895: Identification of Selective Inhibitors of Cyclin Dependent Kinase 4

description: Small molecule binding data for protein Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802 and P24385
DOI: 10.7270/q2rx99d8
title: BindingDB Entry 2670: Thiahomoisocitrate: a highly potent inhibitor of homoisocitrate dehydrogenase involved in the alpha-aminoadipate pathway.

description: Small molecule binding data for protein Homoisocitrate Dehydrogenase (HICDH), Uniprot P40495
DOI: 10.7270/q2sx6bdv
title: BindingDB Entry 892: Parallel synthesis of acylsemicarbazide libraries: preparation of potent cyclin dependent kinase (cdk) inhibitors

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2wq0233
title: BindingDB Entry 2669: Naturally Occurring Pentacyclic Triterpenes as Inhibitors of Glycogen Phosphorylase: Synthesis, Structure-Activity Relationships, and X-ray Crystallographic Studies.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q2xp734k
title: BindingDB Entry 890: 3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P06493 and P14635
DOI: 10.7270/q20g3hfm
title: BindingDB Entry 2678: Synthesis and structure-activity relationships of second-generation hydroxamate botulinum neurotoxin A protease inhibitors.

description: Small molecule binding data for protein Botulinum Neurotoxin Type A
DOI: 10.7270/q21g0jgn
title: BindingDB Entry 904: Improved P1/P1  Substituents for Cyclic Urea Based HIV-1 Protease Inhibitors: Synthesis, Structure-Activity Relationship, and X-ray Crystal Structure Analysis

description: Small molecule binding data for protein HIV-1 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q257197t
title: BindingDB Entry 902: Preparation and structure-activity relationship of novel P1/P1'-substituted cyclic urea-based human immunodeficiency virus type-1 protease inhibitors.

description: Small molecule binding data for protein HIV-1 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q29021z4
title: BindingDB Entry 901: Improved P1/P1' Substituents for Cyclic Urea Based HIV-1 Protease Inhibitors: Synthesis, Structure-Activity Relationship, and X-ray Crystal Structure Analysis

description: Small molecule binding data for protein HIV-1 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q2br8qg9
title: BindingDB Entry 2683: Design, synthesis, and biological activity of novel polycyclic aza-amide FKBP12 ligands.

description: Small molecule binding data for protein Immunophilin FKBP12 and Mammalian target of Rapamycin (mTORC1), Uniprot P18203 and P62942
DOI: 10.7270/q2cr5rjs
title: BindingDB Entry 919: Paullones are potent inhibitors of glycogen synthase kinase-3beta and cyclin-dependent kinase 5/p25.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), and Glycogen Synthase Kinase-3, beta, Uniprot P15206, P18266, and Q00535
DOI: 10.7270/q2dn4387
title: BindingDB Entry 900: Indenopyrazoles as Novel Cyclin Dependent Kinase (CDK) Inhibitors.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2gh9g7g
title: BindingDB Entry 2682: Synthesis of ketone analogues of prolyl and pipecolyl ester FKBP12 ligands

description: Small molecule binding data for protein Immunophilin FKBP12, Uniprot P18203
DOI: 10.7270/q2hd7sw7
title: BindingDB Entry 915: Novel Pyrrolyllactone and Pyrrolyllactam Indolinones as Potent Cyclin-Dependent Kinase 2 Inhibitors

description: Small molecule binding data for protein CDK2/CycE, Platelet-derived growth factor receptor beta, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P09619, P12931, P24864, P24941, and P35968
DOI: 10.7270/q2m906zb
title: BindingDB Entry 2681: Binding mode of new (thio)hydantoin inhibitors of fatty acid amide hydrolase: comparison with two original compounds, OL-92 and JP104.

description: Small molecule binding data for protein Anandamide amidohydrolase, Uniprot P97612
DOI: 10.7270/q2n58jkh
title: BindingDB Entry 910: Benzodipyrazoles: a new class of potent CDK2 inhibitors

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Uniprot P20248 and P24941
DOI: 10.7270/q2r20zn7
title: BindingDB Entry 2680: Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits.

description: Small molecule binding data for protein SARS Coronavirus 3C-like Protease, Uniprot P0C6X7
DOI: 10.7270/q2rx998g
title: BindingDB Entry 907: 3-Aminopyrazole Inhibitors of CDK2/Cyclin A as Antitumor Agents. 1. Lead finding

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), and Cyclin-Dependent Kinase 5 (CDK5), Uniprot P06493, P11802, P14635, P20248, P24385, P24864, P24941, and Q00535
DOI: 10.7270/q2vq3105
title: BindingDB Entry 2679: A refined pharmacophore identifies potent 4-amino-7-chloroquinoline-based inhibitors of the botulinum neurotoxin serotype A metalloprotease.

description: Small molecule binding data for protein Botulinum Neurotoxin Type A
DOI: 10.7270/q2wq020r
title: BindingDB Entry 905: 3-Aminopyrazole Inhibitors of CDK2/Cyclin A as Antitumor Agents. 2. Lead Optimization

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Uniprot P20248 and P24941
DOI: 10.7270/q20g3hb8
title: BindingDB Entry 941: Structural Basis for the Synthesis of Indirubins as Potent and Selective Inhibitors of Glycogen Synthase Kinase-3 and Cyclin-Dependent Kinases

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), and Glycogen Synthase Kinase-3, beta, Uniprot P15206 and Q00535
DOI: 10.7270/q237771z
title: BindingDB Entry 2687: Flavonoids for controlling starch digestion: structural requirements for inhibiting human alpha-amylase.

description: Small molecule binding data for protein alpha-Amylase, Uniprot P04745
DOI: 10.7270/q2474820
title: BindingDB Entry 932: Aloisines, a New Family of CDK/GSK-3 Inhibitors. SAR Study, Crystal Structure in Complex with CDK2, Enzyme Selectivity, and Cellular Effects

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), and Glycogen Synthase Kinase-3, beta, Uniprot P15206, P18266, and Q00535
DOI: 10.7270/q2610xnh
title: BindingDB Entry 2699: Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors.

description: Small molecule binding data for protein Coagulation factor VII, Coagulation factor X/antithrombin III, Factor XIIa, Plasma kallikrein (KLKB1), and Prothrombin, Uniprot P00734, P00742, P00748, P03952, and P08709
DOI: 10.7270/q2707zqf
title: BindingDB Entry 2686: Modeling, analysis, and validation of a novel HIV integrase structure provide insights into the binding modes of potent integrase inhibitors.

description: Small molecule binding data for protein HIV-1 Integrase
DOI: 10.7270/q28050tr
title: BindingDB Entry 928: Evaluation and Comparison of 3D-QSAR CoMSIA Models for CDK1, CDK5, and GSK-3 Inhibition by Paullones

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), and Glycogen Synthase Kinase-3, beta, Uniprot P15206, P18266, and Q00535
DOI: 10.7270/q29s1pbg
title: BindingDB Entry 2698: Discovery of biaryl anthranilides as full agonists for the high affinity niacin receptor.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q2fj2f3n
title: BindingDB Entry 2696: Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-14 (MMP14), Uniprot P08253, P45452, P50281, and P78536
DOI: 10.7270/q2k935vd
title: BindingDB Entry 2695: Identification and characterization of 4-[[4-(2-butynyloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-(3S)thiomorpholinecarboxamide (TMI-1), a novel dual tumor necrosis factor-alpha-converting enzyme/matrix metalloprotease inhibitor for the treatment of rheumatoid arthritis.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), ADAM17, Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), and Matrix metalloproteinase-7 (MMP7), Uniprot O75173, P03956, P08253, P09237, P14780, P45452, P50281, and P78536
DOI: 10.7270/q2m61hg4
title: BindingDB Entry 949: Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 6 (CDK6), and Glycogen Synthase Kinase-3, beta, Uniprot P15206, P18266, Q00534, Q00535, and Q01043
DOI: 10.7270/q2q23xkr
title: BindingDB Entry 2693: Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors: Part I--discovery of two binding modes.

description: Small molecule binding data for protein TNF-alpha-Converting Enzyme
DOI: 10.7270/q2qz2853
title: BindingDB Entry 948: Novel CDK inhibition profiles of structurally varied 1-aza-9-oxafluorenes.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 5 (CDK5), and Glycogen Synthase Kinase-3, beta, Uniprot P11802, P15206, P18266, P24864, P24941, and Q00535
DOI: 10.7270/q2tt4p8q
title: BindingDB Entry 2689: Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC.

description: Small molecule binding data for protein UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC), Uniprot O67648
DOI: 10.7270/q2vq30vz
title: BindingDB Entry 947: Synthesis and anticancer activity of new pyrrolocarbazoles and pyrrolo-beta-carbolines

description: Small molecule binding data for protein Glycogen Synthase Kinase-3, beta
DOI: 10.7270/q2zk5dzk
title: BindingDB Entry 2688: Identification of novel chemical inhibitors for ubiquitin C-terminal hydrolase-L3 by virtual screening.

description: Small molecule binding data for protein Ubiquitin C-terminal Hydrolase L3 (UCH-L3), Uniprot P15374