BDBM50154369 CHEMBL3775370

SMILES: Fc1ccc2N(c3ccccc3COc2c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1

InChI Key: InChIKey=BKJYVCPUKCJUBJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50154369   

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 2C9 (Homo sapiens (Human))	BDBM50154369 (CHEMBL3775370) Show SMILES Fc1ccc2N(c3ccccc3COc2c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C21H15FN2O5S/c22-14-5-7-18-20(9-14)28-11-13-3-1-2-4-17(13)24(18)30(26,27)15-6-8-19-16(10-15)23-21(25)12-29-19/h1-10H,11-12H2,(H,23,25)	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	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50154369 (CHEMBL3775370) Show SMILES Fc1ccc2N(c3ccccc3COc2c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C21H15FN2O5S/c22-14-5-7-18-20(9-14)28-11-13-3-1-2-4-17(13)24(18)30(26,27)15-6-8-19-16(10-15)23-21(25)12-29-19/h1-10H,11-12H2,(H,23,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50154369 (CHEMBL3775370) Show SMILES Fc1ccc2N(c3ccccc3COc2c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C21H15FN2O5S/c22-14-5-7-18-20(9-14)28-11-13-3-1-2-4-17(13)24(18)30(26,27)15-6-8-19-16(10-15)23-21(25)12-29-19/h1-10H,11-12H2,(H,23,25)	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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem 24: 1384-91 (2016) BindingDB Entry DOI: 10.7270/Q2BP04NS
					More data for this Ligand-Target Pair