BDBM50080413 CHEMBL3422265

SMILES: [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC

InChI Key: InChIKey=CTERVLHXMOVKJM-YLXWABNASA-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 = 50080413   

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 2 (Homo sapiens (Human))	BDBM50080413 (CHEMBL3422265) Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r| Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...				J Nat Prod 78: 330-4 (2015) Article DOI: 10.1021/np500896n BindingDB Entry DOI: 10.7270/Q2930VWF
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50080413 (CHEMBL3422265) Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r| Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...				J Nat Prod 78: 330-4 (2015) Article DOI: 10.1021/np500896n BindingDB Entry DOI: 10.7270/Q2930VWF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50080413 (CHEMBL3422265) Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r| Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...				J Nat Prod 78: 330-4 (2015) Article DOI: 10.1021/np500896n BindingDB Entry DOI: 10.7270/Q2930VWF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50080413 (CHEMBL3422265) Show SMILES [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r| Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...				J Nat Prod 78: 330-4 (2015) Article DOI: 10.1021/np500896n BindingDB Entry DOI: 10.7270/Q2930VWF
					More data for this Ligand-Target Pair