Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 403.4 BDBM233826

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM233826 (US9353081, 25 | US9353081, 26 | US9353081, 27) Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F Show InChI InChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33.4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM233826 (US9353081, 25 | US9353081, 26 | US9353081, 27) Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F Show InChI InChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.55E+3	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM233826 (US9353081, 25 | US9353081, 26 | US9353081, 27) Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F Show InChI InChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3	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	1.89E+3	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM233826 (US9353081, 25 | US9353081, 26 | US9353081, 27) Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F Show InChI InChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3	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	2.98E+3	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM233826 (US9353081, 25 | US9353081, 26 | US9353081, 27) Show SMILES CCS(=O)(=O)NC1CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F Show InChI InChI=1S/C20H22FN3O3S/c1-3-28(26,27)23-18-6-5-13-15(10-22-11-16(13)18)14-8-12-4-7-20(25)24(2)19(12)9-17(14)21/h8-11,18,23H,3-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11.2	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair