BDBM50105807 4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide::CHEMBL331431

SMILES: NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1

InChI Key: InChIKey=NIXUBIYUFHWFIC-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 = 50105807   

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))	BDBM50105807 (4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl...) Show SMILES NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2	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))	BDBM50105807 (4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl...) Show SMILES NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+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 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))	BDBM50105807 (4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl...) Show SMILES NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2	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	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 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 2C8 (Homo sapiens (Human))	BDBM50105807 (4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl...) Show SMILES NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2	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