BDBM107666 US8575157, 230

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

InChI Key: InChIKey=UNNIETXFEWYLRH-LGGPFLRQSA-N

Data: 5 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 5 hits for monomerid = 107666   

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))	BDBM107666 (US8575157, 230) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-5-28(3,4)20-29(25-9-7-6-8-10-25)17-18-31(27(33)34-29)21(2)22-11-13-23(14-12-22)24-15-16-26(32)30-19-24/h1,6-16,19,21H,17-18,20H2,2-4H3,(H,30,32)/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	0.650	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))	BDBM107666 (US8575157, 230) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-5-28(3,4)20-29(25-9-7-6-8-10-25)17-18-31(27(33)34-29)21(2)22-11-13-23(14-12-22)24-15-16-26(32)30-19-24/h1,6-16,19,21H,17-18,20H2,2-4H3,(H,30,32)/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	3.96	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 2C19 (Homo sapiens (Human))	BDBM107666 (US8575157, 230) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-5-28(3,4)20-29(25-9-7-6-8-10-25)17-18-31(27(33)34-29)21(2)22-11-13-23(14-12-22)24-15-16-26(32)30-19-24/h1,6-16,19,21H,17-18,20H2,2-4H3,(H,30,32)/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	2.40E+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 2C9 (Homo sapiens (Human))	BDBM107666 (US8575157, 230) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-5-28(3,4)20-29(25-9-7-6-8-10-25)17-18-31(27(33)34-29)21(2)22-11-13-23(14-12-22)24-15-16-26(32)30-19-24/h1,6-16,19,21H,17-18,20H2,2-4H3,(H,30,32)/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	1.70E+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 3A4 (Homo sapiens (Human))	BDBM107666 (US8575157, 230) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-5-28(3,4)20-29(25-9-7-6-8-10-25)17-18-31(27(33)34-29)21(2)22-11-13-23(14-12-22)24-15-16-26(32)30-19-24/h1,6-16,19,21H,17-18,20H2,2-4H3,(H,30,32)/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	6.00E+3	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