BDBM50066877 CHEMBL3401665

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(Cl)cc1)C(C3)C2

InChI Key: InChIKey=SRZQDUHAUCRSDQ-VIZDMAECSA-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 = 50066877   

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))	BDBM50066877 (CHEMBL3401665) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(Cl)cc1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:31:30:2.3.4:6,THB:31:3:6:32.30.7,7:30:2:4.5.6,7:5:2:32.31.30,8:7:2.3.4:6,(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,;-18.41,1.92,;-17.03,-.05,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31ClN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)/t17?,18?,19?,24-,26-	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	9.5	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))	BDBM50066877 (CHEMBL3401665) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(Cl)cc1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:31:30:2.3.4:6,THB:31:3:6:32.30.7,7:30:2:4.5.6,7:5:2:32.31.30,8:7:2.3.4:6,(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,;-18.41,1.92,;-17.03,-.05,;-15.6,-.62,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31ClN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)/t17?,18?,19?,24-,26-	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	3.10	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