Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.3 BDBM191911

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

Found 5 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))	BDBM191911 (US9187429, 46 | US9187429, 47 | US9187429, 48) Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1	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	3.76E+3	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 ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM191911 (US9187429, 46 | US9187429, 47 | US9187429, 48) Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1	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	2.10E+3	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 ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191911 (US9187429, 46 | US9187429, 47 | US9187429, 48) Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	79	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 ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191911 (US9187429, 46 | US9187429, 47 | US9187429, 48) Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	5.75E+3	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 ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191911 (US9187429, 46 | US9187429, 47 | US9187429, 48) Show SMILES C[C@@H](O)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2/c1-11(25)18(26)24-17-4-2-3-14-15(9-23-10-16(14)17)12-5-7-13(8-6-12)19(20,21)22/h5-11,17,25H,2-4H2,1H3,(H,24,26)/t11-,17?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	160	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 ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair