BDBM249215 US9458135, 3

SMILES: CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cccc(C)n2)c1

InChI Key: InChIKey=HIMQQJVULDUFQR-UHFFFAOYSA-N

Data: 2 EC50

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 = 249215   

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
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM249215 (US9458135, 3) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cccc(C)n2)c1 Show InChI InChI=1S/C22H21N3O2/c1-15-4-3-5-21(24-15)27-14-16-10-19(13-23-12-16)17-6-8-20-18(11-17)7-9-22(26)25(20)2/h3-6,8,10-13H,7,9,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...				US Patent US9458135 (2016) BindingDB Entry DOI: 10.7270/Q2KW5F04
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM249215 (US9458135, 3) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cccc(C)n2)c1 Show InChI InChI=1S/C22H21N3O2/c1-15-4-3-5-21(24-15)27-14-16-10-19(13-23-12-16)17-6-8-20-18(11-17)7-9-22(26)25(20)2/h3-6,8,10-13H,7,9,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...				US Patent US9458135 (2016) BindingDB Entry DOI: 10.7270/Q2KW5F04
					More data for this Ligand-Target Pair