BDBM50239618 CHEMBL4079620

SMILES: CC1(O)C2CC3CC(C2)C(CC(=O)N2CC(O)C2)(C1C3)c1ccc(F)cc1

InChI Key: InChIKey=GYOAVHNCAHIQFG-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50239618   

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 (Mus musculus (mouse))	BDBM50239618 (CHEMBL4079620) Show SMILES CC1(O)C2CC3CC(C2)C(CC(=O)N2CC(O)C2)(C1C3)c1ccc(F)cc1 |TLB:2:1:9:19.5.6,4:5:9:8.1.3,10:9:6:8.3.4,20:9:8.1.3:19.5.6,THB:1:18:6:8.3.4,1:3:9.18.19:6,4:3:9:19.5.6,10:9:8.1.3:19.5.6,20:9:6:8.3.4| Show InChI InChI=1S/C22H28FNO3/c1-21(27)15-6-13-7-16(9-15)22(19(21)8-13,14-2-4-17(23)5-3-14)10-20(26)24-11-18(25)12-24/h2-5,13,15-16,18-19,25,27H,6-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50239618 (CHEMBL4079620) Show SMILES CC1(O)C2CC3CC(C2)C(CC(=O)N2CC(O)C2)(C1C3)c1ccc(F)cc1 |TLB:2:1:9:19.5.6,4:5:9:8.1.3,10:9:6:8.3.4,20:9:8.1.3:19.5.6,THB:1:18:6:8.3.4,1:3:9.18.19:6,4:3:9:19.5.6,10:9:8.1.3:19.5.6,20:9:6:8.3.4| Show InChI InChI=1S/C22H28FNO3/c1-21(27)15-6-13-7-16(9-15)22(19(21)8-13,14-2-4-17(23)5-3-14)10-20(26)24-11-18(25)12-24/h2-5,13,15-16,18-19,25,27H,6-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activation of PXR (unknown origin)				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50239618 (CHEMBL4079620) Show SMILES CC1(O)C2CC3CC(C2)C(CC(=O)N2CC(O)C2)(C1C3)c1ccc(F)cc1 |TLB:2:1:9:19.5.6,4:5:9:8.1.3,10:9:6:8.3.4,20:9:8.1.3:19.5.6,THB:1:18:6:8.3.4,1:3:9.18.19:6,4:3:9:19.5.6,10:9:8.1.3:19.5.6,20:9:6:8.3.4| Show InChI InChI=1S/C22H28FNO3/c1-21(27)15-6-13-7-16(9-15)22(19(21)8-13,14-2-4-17(23)5-3-14)10-20(26)24-11-18(25)12-24/h2-5,13,15-16,18-19,25,27H,6-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair