Compounds in cluster

49 molecules are shown

Wt: 175.1 BDBM10247 Purchase	Wt: 402.4 BDBM29571 Purchase	Wt: 450.5 BDBM29578 Purchase	Wt: 480.5 BDBM29579 Purchase	Wt: 519.4 BDBM29580 Purchase
Wt: 296.2 BDBM29569 Purchase	Wt: 337.3 BDBM30895 Purchase	Wt: 274.3 BDBM33057 Purchase	Wt: 368.2 BDBM32018 Purchase	Wt: 392.4 BDBM36363 Purchase
Wt: 151.1 BDBM46658 Purchase	Wt: 341.3 BDBM53108 Purchase	Wt: 323.2 BDBM63310 Purchase	Wt: 421.5 BDBM66459 Purchase	Wt: 349.1 BDBM65559 Purchase

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 78 hits for monomerid = 10247,29571,29578,29579,29580,29569,30895,33057,32018,36363,46658,53108,63310,66459,65559
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Caspase-3 (Homo sapiens (human))	BDBM10247 (1,2,3,4-tetrahydroisoquinoline-1,3,4-trione \| Isoq...) Show SMILES O=C1NC(=O)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	7.5	35
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006)
Shanghai Institutes for Biological Sciences					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-2 (Homo sapiens (human))	BDBM10247 (1,2,3,4-tetrahydroisoquinoline-1,3,4-trione \| Isoq...) Show SMILES O=C1NC(=O)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006)
Shanghai Institutes for Biological Sciences					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (human))	BDBM10247 (1,2,3,4-tetrahydroisoquinoline-1,3,4-trione \| Isoq...) Show SMILES O=C1NC(=O)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006)
Shanghai Institutes for Biological Sciences					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM10247 (1,2,3,4-tetrahydroisoquinoline-1,3,4-trione \| Isoq...) Show SMILES O=C1NC(=O)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006)
Shanghai Institutes for Biological Sciences					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (human))	BDBM10247 (1,2,3,4-tetrahydroisoquinoline-1,3,4-trione \| Isoq...) Show SMILES O=C1NC(=O)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006)
Shanghai Institutes for Biological Sciences					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (human))	BDBM30895 (2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (human))	BDBM32018 (1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE \| 4,5-diaceto...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.23E+3	n/a	n/a	n/a	n/a	7.4	23
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...				Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (human))	BDBM29569 (isatin sulfonamide, 6) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (human))	BDBM29580 (isatin Michael acceptor (IMA) analogue, 13c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.35E+3	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (human))	BDBM29569 (isatin sulfonamide, 6) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (human))	BDBM29569 (isatin sulfonamide, 6) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (human))	BDBM29580 (isatin Michael acceptor (IMA) analogue, 13c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (human))	BDBM29580 (isatin Michael acceptor (IMA) analogue, 13c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (human))	BDBM29569 (isatin sulfonamide, 6) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (human))	BDBM29580 (isatin Michael acceptor (IMA) analogue, 13c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM29569 (isatin sulfonamide, 6) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM29580 (isatin Michael acceptor (IMA) analogue, 13c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009)
Washington University					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+3	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...				Citation and Details
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (human))	BDBM36363 (CID6851947 \| PAC-1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	7.4	37
University of Illinois					Assay Description Procaspase-3 activation assay; activation of procaspase-3 to caspase-3.				Nat Chem Biol 2: 543-50 (2006)
University of Illinois					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (human))	BDBM36363 (CID6851947 \| PAC-1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	7.4	37
University of Illinois					Assay Description Procaspase-7 activation assay; activation of procaspase-7 to caspase-7.				Nat Chem Biol 2: 543-50 (2006)
University of Illinois					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				Citation and Details
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
phosphomannomutase 2 (Homo sapiens)	BDBM46658 (1,2-benzothiazol-3-one \| MLS-0254244.0001 \| US9011...) Show SMILES O=c1[nH]sc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				Citation and Details
					More data for this Ligand-Target Pair
MPI protein (Homo sapiens)	BDBM46658 (1,2-benzothiazol-3-one \| MLS-0254244.0001 \| US9011...) Show SMILES O=c1[nH]sc2ccccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				Citation and Details
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POsterior Segregation family member (pos-1) (Caenorhabditis elegans)	BDBM53108 (2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]...) Show SMILES Show InChI	KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				Citation and Details
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM53108 (2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				Citation and Details
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				Citation and Details
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				Citation and Details
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
BCL-W (Homo sapiens (Human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				Citation and Details
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				Citation and Details
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				Citation and Details
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Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM33057 (6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine \| ...) Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				Citation and Details
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Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM46658 (1,2-benzothiazol-3-one \| MLS-0254244.0001 \| US9011...) Show SMILES O=c1[nH]sc2ccccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				Citation and Details
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Hsf1 protein (Mus musculus)	BDBM63310 (MLS000418008 \| N-(2,3-dihydro-1,4-benzodioxin-6-yl...) Show SMILES O=C(Nc1ccc2OCCOc2c1)c1coc2ccccc2c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				Citation and Details
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (human))	BDBM53108 (2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				Citation and Details
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Bcl-xL/BAK (Homo sapiens)	BDBM53108 (2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				Citation and Details
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