BDBM347710 Methyl 3-[(E)-2-(4-cyanophenoxy)- 3-(dimethylamino)prop-2-enoyl]benzoate::US9790217, 33

SMILES: COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1)C#N)=C/N(C)C

InChI Key: InChIKey=XSTZETQRAREPAA-QGOAFFKASA-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 = 347710   

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 (Homo sapiens (Human))	BDBM347710 (Methyl 3-[(E)-2-(4-cyanophenoxy)- 3-(dimethylamino...) Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1)C#N)=C/N(C)C Show InChI InChI=1S/C20H18N2O4/c1-22(2)13-18(26-17-9-7-14(12-21)8-10-17)19(23)15-5-4-6-16(11-15)20(24)25-3/h4-11,13H,1-3H3/b18-13+	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	0.0310	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM347710 (Methyl 3-[(E)-2-(4-cyanophenoxy)- 3-(dimethylamino...) Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1)C#N)=C/N(C)C Show InChI InChI=1S/C20H18N2O4/c1-22(2)13-18(26-17-9-7-14(12-21)8-10-17)19(23)15-5-4-6-16(11-15)20(24)25-3/h4-11,13H,1-3H3/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0180	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair