BDBM101358 US9695151, 24::US9695151, 25

SMILES: CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C

InChI Key: InChIKey=KDPPMVRGXFIIPY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 101358   

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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM101358 (US9695151, 24 | US9695151, 25) Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	352	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 11B1, mitochondrial (Homo sapiens (Human))	BDBM101358 (US9695151, 24 | US9695151, 25) Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3	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	1.39E+4	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))	BDBM101358 (US9695151, 24 | US9695151, 25) Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	443	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 11B1, mitochondrial (Homo sapiens (Human))	BDBM101358 (US9695151, 24 | US9695151, 25) Show SMILES CCS(=O)(=O)N1CCCC(C1)Nc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C Show InChI InChI=1S/C22H27ClN4O3S/c1-4-31(29,30)26-9-5-6-16(14-26)25-17-11-18(13-24-12-17)27-21(28)19-8-7-15(23)10-20(19)22(27,2)3/h7-8,10-13,16,25H,4-6,9,14H2,1-3H3	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	3.80E+4	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