BDBM50066882 CHEMBL3401660

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(CC1)c1ccc(cc1)C#N)C(C3)C2

InChI Key: InChIKey=IMCJKOCYTHOIMN-CRTMNGTDSA-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 = 50066882   

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))	BDBM50066882 (CHEMBL3401660) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C28H32N4O2/c29-17-18-4-6-20(7-5-18)21-8-10-32(11-9-21)25-3-1-2-24(30-25)27(33)31-26-22-12-19-13-23(26)16-28(34,14-19)15-22/h1-7,19,21-23,26,34H,8-16H2,(H,31,33)/t19?,22?,23?,26-,28-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066882 (CHEMBL3401660) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C28H32N4O2/c29-17-18-4-6-20(7-5-18)21-8-10-32(11-9-21)25-3-1-2-24(30-25)27(33)31-26-22-12-19-13-23(26)16-28(34,14-19)15-22/h1-7,19,21-23,26,34H,8-16H2,(H,31,33)/t19?,22?,23?,26-,28-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair