BDBM50445579 CHEMBL3103435

SMILES: C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccccc1

InChI Key: InChIKey=HMPHJUPSRMYZBA-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 = 50445579   

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))	BDBM50445579 (CHEMBL3103435) Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(6.07,-4.02,;4.72,-4.77,;4.78,-6.32,;3.32,-6.85,;2.37,-5.63,;3.23,-4.35,;7.41,-4.82,;8.61,-3.54,;9.94,-4.04,;11.34,-3.69,;11.36,-2.15,;9.95,-1.57,;8.6,-2.05,;8.91,-2.81,;8.91,-4.4,;10.33,-4.97,;7.4,-6.36,;6.06,-7.12,;6.05,-8.66,;7.38,-9.44,;8.72,-8.67,;8.72,-7.13,)| Show InChI InChI=1S/C18H22N4/c1-2-4-14(5-3-1)18(11-17-19-21-22-20-17)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20,21,22)	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	509	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))	BDBM50445579 (CHEMBL3103435) Show SMILES C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(6.07,-4.02,;4.72,-4.77,;4.78,-6.32,;3.32,-6.85,;2.37,-5.63,;3.23,-4.35,;7.41,-4.82,;8.61,-3.54,;9.94,-4.04,;11.34,-3.69,;11.36,-2.15,;9.95,-1.57,;8.6,-2.05,;8.91,-2.81,;8.91,-4.4,;10.33,-4.97,;7.4,-6.36,;6.06,-7.12,;6.05,-8.66,;7.38,-9.44,;8.72,-8.67,;8.72,-7.13,)| Show InChI InChI=1S/C18H22N4/c1-2-4-14(5-3-1)18(11-17-19-21-22-20-17)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-11H2,(H,19,20,21,22)	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	85	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