null

SMILES: OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=YWRAQPIZHMBUOY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105817   

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
Cytochrome P450 2C18 (Homo sapiens (Human))	BDBM50105817 (3'-Nitro-biphenyl-4-sulfonic acid (2-hydroxy-ethyl...) Show SMILES OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O5S/c28-16-15-25(23-13-14-24-26(23)20-6-2-1-3-7-20)33(31,32)22-11-9-18(10-12-22)19-5-4-8-21(17-19)27(29)30/h1-14,17,28H,15-16H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris V Curated by ChEMBL					Assay Description Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain				J Med Chem 44: 3622-31 (2001) BindingDB Entry DOI: 10.7270/Q20Z72KC
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50105817 (3'-Nitro-biphenyl-4-sulfonic acid (2-hydroxy-ethyl...) Show SMILES OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O5S/c28-16-15-25(23-13-14-24-26(23)20-6-2-1-3-7-20)33(31,32)22-11-9-18(10-12-22)19-5-4-8-21(17-19)27(29)30/h1-14,17,28H,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris V Curated by ChEMBL					Assay Description Inhibitory effect on human recombinant liver cytochrome P450 2C19 expressed in yeast strain				J Med Chem 44: 3622-31 (2001) BindingDB Entry DOI: 10.7270/Q20Z72KC
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50105817 (3'-Nitro-biphenyl-4-sulfonic acid (2-hydroxy-ethyl...) Show SMILES OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O5S/c28-16-15-25(23-13-14-24-26(23)20-6-2-1-3-7-20)33(31,32)22-11-9-18(10-12-22)19-5-4-8-21(17-19)27(29)30/h1-14,17,28H,15-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris V Curated by ChEMBL					Assay Description Inhibitory effect on human recombinant liver Cytochrome P450 2C8 expressed in yeast strain				J Med Chem 44: 3622-31 (2001) BindingDB Entry DOI: 10.7270/Q20Z72KC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50105817 (3'-Nitro-biphenyl-4-sulfonic acid (2-hydroxy-ethyl...) Show SMILES OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O5S/c28-16-15-25(23-13-14-24-26(23)20-6-2-1-3-7-20)33(31,32)22-11-9-18(10-12-22)19-5-4-8-21(17-19)27(29)30/h1-14,17,28H,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris V Curated by ChEMBL					Assay Description Inhibitory effect on human recombinant liver cytochrome P450 2C9 expressed in yeast strain				J Med Chem 44: 3622-31 (2001) BindingDB Entry DOI: 10.7270/Q20Z72KC
					More data for this Ligand-Target Pair