BDBM50347387 CHEMBL1801172

SMILES: ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=CCNVIJIUJHRGEQ-PIIMJCKOSA-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 = 50347387   

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 3A4 (Homo sapiens (Human))	BDBM50347387 (CHEMBL1801172) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50347387 (CHEMBL1801172) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347387 (CHEMBL1801172) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair