BDBM50105808 3'-Nitro-biphenyl-4-sulfonic acid (3-hydroxy-propyl)-(2-phenyl-2H-pyrazol-3-yl)-amide::CHEMBL121522

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

InChI Key: InChIKey=OWBVFVPKTLCULA-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105808   

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 2C19 (Homo sapiens (Human))	BDBM50105808 (3'-Nitro-biphenyl-4-sulfonic acid (3-hydroxy-propy...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H22N4O5S/c29-17-5-16-26(24-14-15-25-27(24)21-7-2-1-3-8-21)34(32,33)23-12-10-19(11-13-23)20-6-4-9-22(18-20)28(30)31/h1-4,6-15,18,29H,5,16-17H2	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+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 2C9 (Homo sapiens (Human))	BDBM50105808 (3'-Nitro-biphenyl-4-sulfonic acid (3-hydroxy-propy...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H22N4O5S/c29-17-5-16-26(24-14-15-25-27(24)21-7-2-1-3-8-21)34(32,33)23-12-10-19(11-13-23)20-6-4-9-22(18-20)28(30)31/h1-4,6-15,18,29H,5,16-17H2	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	2.80E+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
Cytochrome P450 2C18 (Homo sapiens (Human))	BDBM50105808 (3'-Nitro-biphenyl-4-sulfonic acid (3-hydroxy-propy...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H22N4O5S/c29-17-5-16-26(24-14-15-25-27(24)21-7-2-1-3-8-21)34(32,33)23-12-10-19(11-13-23)20-6-4-9-22(18-20)28(30)31/h1-4,6-15,18,29H,5,16-17H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+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 2C8 (Homo sapiens (Human))	BDBM50105808 (3'-Nitro-biphenyl-4-sulfonic acid (3-hydroxy-propy...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H22N4O5S/c29-17-5-16-26(24-14-15-25-27(24)21-7-2-1-3-8-21)34(32,33)23-12-10-19(11-13-23)20-6-4-9-22(18-20)28(30)31/h1-4,6-15,18,29H,5,16-17H2	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