null

SMILES: CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1

InChI Key: InChIKey=HJDOKRISIQYTPH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 42235   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.43E+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: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RTC
					More data for this Ligand-Target Pair
Glycoprotein 42 (Human herpesvirus 4 type 2)	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.58E+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: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24748BK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7 (Homo sapiens (Human))	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.18E+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: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2VQ314Z
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM42235 (8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...) Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair