BDBM101379 US9695151, 45

SMILES: CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N

InChI Key: InChIKey=JCIJGKORACXSDQ-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 = 101379   

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))	BDBM101379 (US9695151, 45) Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N Show InChI InChI=1S/C22H23N5O2/c1-4-20(28)26-12-16(13-26)25-15-8-17(11-24-10-15)27-21(29)18-6-5-14(9-23)7-19(18)22(27,2)3/h5-8,10-11,16,25H,4,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	5.93E+3	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...				US Patent US9695151 (2017) BindingDB Entry DOI: 10.7270/Q2KD1W22
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM101379 (US9695151, 45) Show SMILES CCC(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N Show InChI InChI=1S/C22H23N5O2/c1-4-20(28)26-12-16(13-26)25-15-8-17(11-24-10-15)27-21(29)18-6-5-14(9-23)7-19(18)22(27,2)3/h5-8,10-11,16,25H,4,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	122	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...				US Patent US9695151 (2017) BindingDB Entry DOI: 10.7270/Q2KD1W22
					More data for this Ligand-Target Pair