BDBM50355363 CHEMBL1835424

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4C=O)[C@@H]1CCC2=O

InChI Key: InChIKey=CPYYLBJUQDZTPP-ZLHSVIROSA-N

Data: 2 KI  1 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 = 50355363   

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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355363 (CHEMBL1835424) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4C=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,21H,2-3,5,7-9H2,1H3/t13-,14-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Reversible inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355363 (CHEMBL1835424) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4C=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,21H,2-3,5,7-9H2,1H3/t13-,14-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 5 mins by Kitz-Wilson plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355363 (CHEMBL1835424) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4C=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,21H,2-3,5,7-9H2,1H3/t13-,14-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human purified steroid sulfatase				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair