BDBM50445578 CHEMBL3103431

SMILES: OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=BPRCZLSRKYOUKI-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 = 50445578   

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))	BDBM50445578 (CHEMBL3103431) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1 |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,(45.07,-33.21,;43.78,-34.06,;43.77,-35.6,;42.37,-35.94,;41.04,-35.45,;41.03,-33.96,;42.38,-33.48,;41.33,-34.72,;41.34,-36.31,;42.76,-36.88,;39.84,-36.73,;38.5,-35.93,;37.15,-36.68,;35.66,-36.26,;34.8,-37.54,;35.76,-38.75,;37.21,-38.22,;39.83,-38.27,;38.49,-39.03,;38.48,-40.56,;39.81,-41.34,;41.15,-40.57,;41.15,-39.04,;39.8,-42.88,;38.46,-43.65,;38.45,-45.19,;39.78,-45.97,;41.13,-45.2,;41.13,-43.65,)| Show InChI InChI=1S/C23H25N5O/c29-22-16-8-19-10-17(22)11-20(9-16)23(19,12-21-25-27-28-26-21)18-5-3-14(4-6-18)15-2-1-7-24-13-15/h1-7,13,16-17,19-20,22,29H,8-12H2,(H,25,26,27,28)	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	1.11E+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				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))	BDBM50445578 (CHEMBL3103431) Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1 |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,(45.07,-33.21,;43.78,-34.06,;43.77,-35.6,;42.37,-35.94,;41.04,-35.45,;41.03,-33.96,;42.38,-33.48,;41.33,-34.72,;41.34,-36.31,;42.76,-36.88,;39.84,-36.73,;38.5,-35.93,;37.15,-36.68,;35.66,-36.26,;34.8,-37.54,;35.76,-38.75,;37.21,-38.22,;39.83,-38.27,;38.49,-39.03,;38.48,-40.56,;39.81,-41.34,;41.15,-40.57,;41.15,-39.04,;39.8,-42.88,;38.46,-43.65,;38.45,-45.19,;39.78,-45.97,;41.13,-45.2,;41.13,-43.65,)| Show InChI InChI=1S/C23H25N5O/c29-22-16-8-19-10-17(22)11-20(9-16)23(19,12-21-25-27-28-26-21)18-5-3-14(4-6-18)15-2-1-7-24-13-15/h1-7,13,16-17,19-20,22,29H,8-12H2,(H,25,26,27,28)	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	102	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