BDBM50239616 CHEMBL4078671

SMILES: COC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1

InChI Key: InChIKey=WUEWLMUHOBWRQF-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50239616   

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))	BDBM50239616 (CHEMBL4078671) Show SMILES COC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(63.87,-11.5,;65.38,-11.19,;65.86,-9.72,;65.16,-8.35,;66.55,-7.65,;67.23,-9.02,;67.02,-6.18,;65.77,-5.27,;68.49,-5.7,;69.64,-6.74,;70.83,-5.46,;72.15,-5.95,;73.55,-5.61,;73.57,-4.08,;72.16,-3.5,;70.82,-3.98,;71.13,-4.74,;71.13,-6.32,;72.54,-6.88,;69.62,-8.28,;68.28,-9.02,;68.26,-10.56,;69.59,-11.34,;69.57,-12.89,;70.92,-10.58,;70.93,-9.05,)| Show InChI InChI=1S/C22H28FNO2/c1-26-20-12-24(13-20)21(25)11-22(16-2-4-19(23)5-3-16)17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-18,20H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	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				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50239616 (CHEMBL4078671) Show SMILES COC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(63.87,-11.5,;65.38,-11.19,;65.86,-9.72,;65.16,-8.35,;66.55,-7.65,;67.23,-9.02,;67.02,-6.18,;65.77,-5.27,;68.49,-5.7,;69.64,-6.74,;70.83,-5.46,;72.15,-5.95,;73.55,-5.61,;73.57,-4.08,;72.16,-3.5,;70.82,-3.98,;71.13,-4.74,;71.13,-6.32,;72.54,-6.88,;69.62,-8.28,;68.28,-9.02,;68.26,-10.56,;69.59,-11.34,;69.57,-12.89,;70.92,-10.58,;70.93,-9.05,)| Show InChI InChI=1S/C22H28FNO2/c1-26-20-12-24(13-20)21(25)11-22(16-2-4-19(23)5-3-16)17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-18,20H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	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