BDBM50145436 CHEMBL3763512

SMILES: CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1

InChI Key: InChIKey=RKGQHJZGORQTQB-NSYGIPOTSA-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 = 50145436   

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 (Homo sapiens (Human))	BDBM50145436 (CHEMBL3763512) Show SMILES CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:35,t:24| Show InChI InChI=1S/C25H28N4O3S/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)33(31,32)15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis				Eur J Med Chem 110: 126-32 (2016) BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50145436 (CHEMBL3763512) Show SMILES CCn1c2ccccc2c2nnc(nc12)S(=O)(=O)C[C@H]1CC=C(C(C)C)[C@@]11CCC(=O)C=C1 |r,c:35,t:24| Show InChI InChI=1S/C25H28N4O3S/c1-4-29-21-8-6-5-7-19(21)22-23(29)26-24(28-27-22)33(31,32)15-17-9-10-20(16(2)3)25(17)13-11-18(30)12-14-25/h5-8,10-11,13,16-17H,4,9,12,14-15H2,1-3H3/t17-,25+/m1/s1	KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...				Eur J Med Chem 110: 126-32 (2016) BindingDB Entry DOI: 10.7270/Q28P62DG
					More data for this Ligand-Target Pair