BDBM50445565 CHEMBL3103521

SMILES: OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1

InChI Key: InChIKey=VNHSUICDFSZGBI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50445565   

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))	BDBM50445565 (CHEMBL3103521) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(11.94,-22.46,;10.65,-23.31,;10.63,-24.84,;9.23,-25.19,;7.91,-24.7,;7.9,-23.21,;9.25,-22.73,;8.2,-23.97,;8.21,-25.55,;9.63,-26.12,;6.71,-25.98,;5.37,-25.17,;4.02,-25.93,;2.53,-25.5,;1.67,-26.78,;2.63,-28,;4.08,-27.47,;6.7,-27.51,;5.36,-28.27,;5.35,-29.8,;6.68,-30.58,;8.02,-29.81,;8.02,-28.28,;6.67,-32.12,;5.33,-32.89,;5.32,-34.43,;6.65,-35.21,;6.65,-36.76,;8,-34.44,;8,-32.9,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)	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	347	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				Bioorg Med Chem Lett 24: 654-60 (2014) Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50445565 (CHEMBL3103521) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(11.94,-22.46,;10.65,-23.31,;10.63,-24.84,;9.23,-25.19,;7.91,-24.7,;7.9,-23.21,;9.25,-22.73,;8.2,-23.97,;8.21,-25.55,;9.63,-26.12,;6.71,-25.98,;5.37,-25.17,;4.02,-25.93,;2.53,-25.5,;1.67,-26.78,;2.63,-28,;4.08,-27.47,;6.7,-27.51,;5.36,-28.27,;5.35,-29.8,;6.68,-30.58,;8.02,-29.81,;8.02,-28.28,;6.67,-32.12,;5.33,-32.89,;5.32,-34.43,;6.65,-35.21,;6.65,-36.76,;8,-34.44,;8,-32.9,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 24: 654-60 (2014) Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF
					More data for this Ligand-Target Pair