null

SMILES: CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1

InChI Key: InChIKey=DBPAFWMBSKHHSG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50446025   

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
Aldo-keto reductase family 1 member C4 (Homo sapiens (Human))	BDBM50446025 (CHEMBL3103355) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C16H23N3O4S/c1-24(21,22)15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-23-13-11-19/h2-5H,6-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50446025 (CHEMBL3103355) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C16H23N3O4S/c1-24(21,22)15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-23-13-11-19/h2-5H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50446025 (CHEMBL3103355) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C16H23N3O4S/c1-24(21,22)15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-23-13-11-19/h2-5H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50446025 (CHEMBL3103355) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C16H23N3O4S/c1-24(21,22)15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-23-13-11-19/h2-5H,6-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair