BDBM50445569 CHEMBL3103522

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

InChI Key: InChIKey=CASFYCGISPBAEB-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 = 50445569   

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))	BDBM50445569 (CHEMBL3103522) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(F)c1 |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,(24.06,-26.88,;22.77,-27.73,;22.75,-29.26,;21.35,-29.61,;20.03,-29.12,;20.02,-27.63,;21.36,-27.15,;20.32,-28.39,;20.32,-29.98,;21.74,-30.54,;18.82,-30.4,;17.49,-29.6,;16.14,-30.35,;14.65,-29.92,;13.79,-31.2,;14.74,-32.42,;16.19,-31.89,;18.82,-31.94,;17.47,-32.69,;17.46,-34.23,;18.79,-35.01,;20.13,-34.24,;20.14,-32.7,;18.79,-36.55,;17.44,-37.31,;17.43,-38.85,;18.77,-39.63,;20.11,-38.86,;21.45,-39.63,;20.12,-37.32,)| Show InChI InChI=1S/C24H25FN4O/c25-21-3-1-2-15(12-21)14-4-6-18(7-5-14)24(13-22-26-28-29-27-22)19-8-16-9-20(24)11-17(10-19)23(16)30/h1-7,12,16-17,19-20,23,30H,8-11,13H2,(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	182	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))	BDBM50445569 (CHEMBL3103522) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(F)c1 |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,(24.06,-26.88,;22.77,-27.73,;22.75,-29.26,;21.35,-29.61,;20.03,-29.12,;20.02,-27.63,;21.36,-27.15,;20.32,-28.39,;20.32,-29.98,;21.74,-30.54,;18.82,-30.4,;17.49,-29.6,;16.14,-30.35,;14.65,-29.92,;13.79,-31.2,;14.74,-32.42,;16.19,-31.89,;18.82,-31.94,;17.47,-32.69,;17.46,-34.23,;18.79,-35.01,;20.13,-34.24,;20.14,-32.7,;18.79,-36.55,;17.44,-37.31,;17.43,-38.85,;18.77,-39.63,;20.11,-38.86,;21.45,-39.63,;20.12,-37.32,)| Show InChI InChI=1S/C24H25FN4O/c25-21-3-1-2-15(12-21)14-4-6-18(7-5-14)24(13-22-26-28-29-27-22)19-8-16-9-20(24)11-17(10-19)23(16)30/h1-7,12,16-17,19-20,23,30H,8-11,13H2,(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	6	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