BDBM50105815 4-Allyl-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide::CHEMBL333210

SMILES: OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1

InChI Key: InChIKey=HEXQQYAWGOWNGP-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 = 50105815   

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 2C8 (Homo sapiens (Human))	BDBM50105815 (4-Allyl-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1 Show InChI InChI=1S/C21H23N3O3S/c1-2-7-18-10-12-20(13-11-18)28(26,27)23(16-6-17-25)21-14-15-22-24(21)19-8-4-3-5-9-19/h2-5,8-15,25H,1,6-7,16-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+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 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 2C19 (Homo sapiens (Human))	BDBM50105815 (4-Allyl-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1 Show InChI InChI=1S/C21H23N3O3S/c1-2-7-18-10-12-20(13-11-18)28(26,27)23(16-6-17-25)21-14-15-22-24(21)19-8-4-3-5-9-19/h2-5,8-15,25H,1,6-7,16-17H2	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	1.00E+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 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 2C18 (Homo sapiens (Human))	BDBM50105815 (4-Allyl-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1 Show InChI InChI=1S/C21H23N3O3S/c1-2-7-18-10-12-20(13-11-18)28(26,27)23(16-6-17-25)21-14-15-22-24(21)19-8-4-3-5-9-19/h2-5,8-15,25H,1,6-7,16-17H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+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 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 2C9 (Homo sapiens (Human))	BDBM50105815 (4-Allyl-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...) Show SMILES OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1 Show InChI InChI=1S/C21H23N3O3S/c1-2-7-18-10-12-20(13-11-18)28(26,27)23(16-6-17-25)21-14-15-22-24(21)19-8-4-3-5-9-19/h2-5,8-15,25H,1,6-7,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+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