BDBM50323356 6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymethyl-6,7-dihydro-5-thia-2,3a,6-triaza-indene 5,5-dioxide::CHEMBL1209694

SMILES: CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O

InChI Key: InChIKey=NHRLPAVZBKIQPV-CWQZNGJJSA-N

Data: 3 IC50

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 3 hits for monomerid = 50323356   

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))	BDBM50323356 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...) Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323356 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...) Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP3A4-mediated testosterone oxidation				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50323356 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isopropoxymeth...) Show SMILES CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(2)24-10-17-20-11-19-8-16(20)9-21(25(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-8,11-13,17H,9-10H2,1-3H3/t13-,17?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 by cell-based assay				Bioorg Med Chem Lett 20: 4324-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.086 BindingDB Entry DOI: 10.7270/Q2QJ7HGS
					More data for this Ligand-Target Pair