BDBM50448448 CHEMBL3125655

SMILES: O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F

InChI Key: InChIKey=MVIDQQZWMHRXFV-IVAHSZNUSA-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 = 50448448   

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))	BDBM50448448 (CHEMBL3125655) Show SMILES O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H22ClF3N4O3/c23-18-14-6-11(10-1-2-10)8-16(22(24,25)26)30(14)27-19(18)21(33)28-3-4-29(17(31)9-28)15-7-12-5-13(12)20(15)32/h6,8,10,12-13,15,20,32H,1-5,7,9H2/t12-,13-,15-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis				J Med Chem 57: 2107-20 (2014) Article DOI: 10.1021/jm400125h BindingDB Entry DOI: 10.7270/Q24T6KW3
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50448448 (CHEMBL3125655) Show SMILES O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H22ClF3N4O3/c23-18-14-6-11(10-1-2-10)8-16(22(24,25)26)30(14)27-19(18)21(33)28-3-4-29(17(31)9-28)15-7-12-5-13(12)20(15)32/h6,8,10,12-13,15,20,32H,1-5,7,9H2/t12-,13-,15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 10 mins by LC/MS/MS analysis				J Med Chem 57: 2107-20 (2014) Article DOI: 10.1021/jm400125h BindingDB Entry DOI: 10.7270/Q24T6KW3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50448448 (CHEMBL3125655) Show SMILES O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H22ClF3N4O3/c23-18-14-6-11(10-1-2-10)8-16(22(24,25)26)30(14)27-19(18)21(33)28-3-4-29(17(31)9-28)15-7-12-5-13(12)20(15)32/h6,8,10,12-13,15,20,32H,1-5,7,9H2/t12-,13-,15-,20-/m0/s1	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis				J Med Chem 57: 2107-20 (2014) Article DOI: 10.1021/jm400125h BindingDB Entry DOI: 10.7270/Q24T6KW3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50448448 (CHEMBL3125655) Show SMILES O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H22ClF3N4O3/c23-18-14-6-11(10-1-2-10)8-16(22(24,25)26)30(14)27-19(18)21(33)28-3-4-29(17(31)9-28)15-7-12-5-13(12)20(15)32/h6,8,10,12-13,15,20,32H,1-5,7,9H2/t12-,13-,15-,20-/m0/s1	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis				J Med Chem 57: 2107-20 (2014) Article DOI: 10.1021/jm400125h BindingDB Entry DOI: 10.7270/Q24T6KW3
					More data for this Ligand-Target Pair