BDBM107604 US8575157, 53

SMILES: CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1

InChI Key: InChIKey=ZABDLBFFXBIVLQ-LGGPFLRQSA-N

Data: 6 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 6 hits for monomerid = 107604   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM107604 (US8575157, 53) Show SMILES CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O4/c1-5-30-19-24(15-16-26(30)32)23-13-11-22(12-14-23)21(2)31-18-17-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-16,19,21,34H,5,17-18,20H2,1-4H3/t21-,29-/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	1.35	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM107604 (US8575157, 53) Show SMILES CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O4/c1-5-30-19-24(15-16-26(30)32)23-13-11-22(12-14-23)21(2)31-18-17-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-16,19,21,34H,5,17-18,20H2,1-4H3/t21-,29-/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	4.19	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description Inhibition assay using 11β-HSD1 in the presence of 50% human plasma.				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107604 (US8575157, 53) Show SMILES CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O4/c1-5-30-19-24(15-16-26(30)32)23-13-11-22(12-14-23)21(2)31-18-17-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-16,19,21,34H,5,17-18,20H2,1-4H3/t21-,29-/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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107604 (US8575157, 53) Show SMILES CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O4/c1-5-30-19-24(15-16-26(30)32)23-13-11-22(12-14-23)21(2)31-18-17-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-16,19,21,34H,5,17-18,20H2,1-4H3/t21-,29-/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	>5.00E+4	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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM107604 (US8575157, 53) Show SMILES CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O4/c1-5-30-19-24(15-16-26(30)32)23-13-11-22(12-14-23)21(2)31-18-17-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-16,19,21,34H,5,17-18,20H2,1-4H3/t21-,29-/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	>5.00E+4	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 3A4 (Homo sapiens (Human))	BDBM107604 (US8575157, 53) Show SMILES CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O4/c1-5-30-19-24(15-16-26(30)32)23-13-11-22(12-14-23)21(2)31-18-17-29(35-27(31)33,20-28(3,4)34)25-9-7-6-8-10-25/h6-16,19,21,34H,5,17-18,20H2,1-4H3/t21-,29-/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	>5.00E+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