BDBM123129 1-(3-nitro-phenyl)-pyrrole-2,5-dione (17)::CID236790::US9182402, 1
SMILES: [O-][N+](=O)c1cccc(c1)N1C(=O)C=CC1=O
InChI Key: InChIKey=CJENYVWFVWQVPS-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein (Hepatitis C virus) | BDBM123129 (1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | 7.5 | 23 |
University of Wisconsin-Milwaukee | Assay Description Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi... | ACS Chem Biol 9: 2393-2403 (2014) Article DOI: 10.1021/cb500512z BindingDB Entry DOI: 10.7270/Q2G15ZHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Sus scrofa) | BDBM123129 (1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine protease hepsin (Homo sapiens (Human)) | BDBM123129 (1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair |