BDBM50353395 CHEMBL1829782::US8592410, 95::US8592410, Comparator 10::US8598163, 68

SMILES: C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F

InChI Key: InChIKey=SDPGWJVXVCTHJY-HMILPKGGSA-N

Data: 11 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 11 hits for monomerid = 50353395   

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))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.79	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 US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	53.5	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 assay using 11β-HSD1.				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.60E+3	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 US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.79	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))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	53.5	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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]-cortisone to [3H]-cortisol after 1 hr by scintillation proximi...				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	53.5	n/a	n/a	n/a	n/a	7.4	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 US8598163 (2013) BindingDB Entry DOI: 10.7270/Q29K48WR
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as rate of [14C]-formaldehyde/formic acid production by liquid scintillation counting				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353395 (CHEMBL1829782 | US8592410, 95 | US8592410, Compara...) Show SMILES C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C28H29F3N2O4S/c1-19(20-4-6-21(7-5-20)25-13-12-24(30)18-26(25)31)33-17-15-28(37-27(33)34,14-3-16-32-38(2,35)36)22-8-10-23(29)11-9-22/h4-13,18-19,32H,3,14-17H2,1-2H3/t19-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.79	n/a	n/a	n/a	n/a	7.4	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 US8598163 (2013) BindingDB Entry DOI: 10.7270/Q29K48WR
					More data for this Ligand-Target Pair