BDBM249224 US9458135, 12

SMILES: CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ncccn2)c1

InChI Key: InChIKey=NLHWZJXTLYRMEL-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 = 249224   

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))	BDBM249224 (US9458135, 12) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ncccn2)c1 Show InChI InChI=1S/C20H18N4O2/c1-24-18-5-3-15(10-16(18)4-6-19(24)25)17-9-14(11-21-12-17)13-26-20-22-7-2-8-23-20/h2-3,5,7-12H,4,6,13H2,1H3	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	101	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))	BDBM249224 (US9458135, 12) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2ncccn2)c1 Show InChI InChI=1S/C20H18N4O2/c1-24-18-5-3-15(10-16(18)4-6-19(24)25)17-9-14(11-21-12-17)13-26-20-22-7-2-8-23-20/h2-3,5,7-12H,4,6,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	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