Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.7 BDBM347709

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM347709 (4-[(Z)-1-(3-Chlorobenzoyl)-2- (dimethylamino)vinyl...) Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H15ClN2O2/c1-21(2)12-17(18(22)14-4-3-5-15(19)10-14)23-16-8-6-13(11-20)7-9-16/h3-10,12H,1-2H3/b17-12-	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	0.542	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, mitochondrial (Homo sapiens (Human))	BDBM347709 (4-[(Z)-1-(3-Chlorobenzoyl)-2- (dimethylamino)vinyl...) Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H15ClN2O2/c1-21(2)12-17(18(22)14-4-3-5-15(19)10-14)23-16-8-6-13(11-20)7-9-16/h3-10,12H,1-2H3/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0460	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