BDBM50433326 CHEMBL2376562

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O

InChI Key: InChIKey=JLEWSFZFGVKGLO-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50433326   

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 2D6 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair