BDBM107624 US8575157, 76

SMILES: C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1

InChI Key: InChIKey=YSYKNPFUILIGKX-UGDMGKLASA-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 = 107624   

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))	BDBM107624 (US8575157, 76) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r| Show InChI InChI=1S/C31H36N2O4/c1-22(24-11-13-25(14-12-24)26-15-16-28(34)32(20-26)19-23-9-10-23)33-18-17-31(37-29(33)35,21-30(2,3)36)27-7-5-4-6-8-27/h4-8,11-16,20,22-23,36H,9-10,17-19,21H2,1-3H3/t22-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylati...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM107624 (US8575157, 76) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r| Show InChI InChI=1S/C31H36N2O4/c1-22(24-11-13-25(14-12-24)26-15-16-28(34)32(20-26)19-23-9-10-23)33-18-17-31(37-29(33)35,21-30(2,3)36)27-7-5-4-6-8-27/h4-8,11-16,20,22-23,36H,9-10,17-19,21H2,1-3H3/t22-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation ...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107624 (US8575157, 76) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r| Show InChI InChI=1S/C31H36N2O4/c1-22(24-11-13-25(14-12-24)26-15-16-28(34)32(20-26)19-23-9-10-23)33-18-17-31(37-29(33)35,21-30(2,3)36)27-7-5-4-6-8-27/h4-8,11-16,20,22-23,36H,9-10,17-19,21H2,1-3H3/t22-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair