BDBM50445567 CHEMBL3103427

SMILES: OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CZHXKNIJJPRSMX-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 = 50445567   

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))	BDBM50445567 (CHEMBL3103427) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |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,(68.53,-28.08,;67.25,-28.93,;67.23,-30.46,;65.83,-30.81,;64.5,-30.32,;64.5,-28.83,;65.84,-28.35,;64.8,-29.59,;64.8,-31.18,;66.22,-31.75,;63.3,-31.6,;61.96,-30.8,;60.62,-31.55,;59.13,-31.12,;58.27,-32.41,;59.22,-33.62,;60.67,-33.09,;63.29,-33.14,;61.95,-33.89,;61.94,-35.43,;63.27,-36.21,;64.61,-35.44,;64.61,-33.91,;63.27,-37.75,;61.92,-38.51,;61.91,-40.05,;63.25,-40.83,;64.59,-40.06,;64.59,-38.52,;65.93,-40.83,;65.93,-42.38,;67.27,-40.06,;67.26,-41.6,)| Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-3-1-2-15(8-19)14-4-6-18(7-5-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	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))	BDBM50445567 (CHEMBL3103427) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |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,(68.53,-28.08,;67.25,-28.93,;67.23,-30.46,;65.83,-30.81,;64.5,-30.32,;64.5,-28.83,;65.84,-28.35,;64.8,-29.59,;64.8,-31.18,;66.22,-31.75,;63.3,-31.6,;61.96,-30.8,;60.62,-31.55,;59.13,-31.12,;58.27,-32.41,;59.22,-33.62,;60.67,-33.09,;63.29,-33.14,;61.95,-33.89,;61.94,-35.43,;63.27,-36.21,;64.61,-35.44,;64.61,-33.91,;63.27,-37.75,;61.92,-38.51,;61.91,-40.05,;63.25,-40.83,;64.59,-40.06,;64.59,-38.52,;65.93,-40.83,;65.93,-42.38,;67.27,-40.06,;67.26,-41.6,)| Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-3-1-2-15(8-19)14-4-6-18(7-5-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 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