BDBM249227 US9458135, 15

SMILES: CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2ncccc2C(F)(F)F)c1

InChI Key: InChIKey=NQUXVEIDAGSUEZ-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 = 249227   

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))	BDBM249227 (US9458135, 15) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2ncccc2C(F)(F)F)c1 Show InChI InChI=1S/C22H18F3N3OS/c1-28-19-6-4-15(10-16(19)5-7-20(28)29)17-9-14(11-26-12-17)13-30-21-18(22(23,24)25)3-2-8-27-21/h2-4,6,8-12H,5,7,13H2,1H3	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	14.3	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))	BDBM249227 (US9458135, 15) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2ncccc2C(F)(F)F)c1 Show InChI InChI=1S/C22H18F3N3OS/c1-28-19-6-4-15(10-16(19)5-7-20(28)29)17-9-14(11-26-12-17)13-30-21-18(22(23,24)25)3-2-8-27-21/h2-4,6,8-12H,5,7,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	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