BDBM50112876 3-((N-cyclohexyl-aminocarbonoyl)hydrazono]methyl)-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid::CHEMBL25794

SMILES: COc1c2CCc3cc(C=NNC(=O)NC4CCCCC4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12

InChI Key: InChIKey=MTRSIAALBCRLID-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50112876   

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))	BDBM50112876 (3-((N-cyclohexyl-aminocarbonoyl)hydrazono]methyl)-...) Show SMILES COc1c2CCc3cc(C=NNC(=O)NC4CCCCC4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12 |w:10.10| Show InChI InChI=1S/C33H31N3O10/c1-13-19(37)11-18-23(26(13)38)30(42)25-24(27(18)39)29(41)22-17(31(25)46-2)9-8-14-10-15(21(32(43)44)28(40)20(14)22)12-34-36-33(45)35-16-6-4-3-5-7-16/h10-12,16,37-38,40-41H,3-9H2,1-2H3,(H,43,44)(H2,35,36,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Non-competitive inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 20 mins by Lineweaver-Burk plot a...				Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50112876 (3-((N-cyclohexyl-aminocarbonoyl)hydrazono]methyl)-...) Show SMILES COc1c2CCc3cc(C=NNC(=O)NC4CCCCC4)c(C(O)=O)c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12 |w:10.10| Show InChI InChI=1S/C33H31N3O10/c1-13-19(37)11-18-23(26(13)38)30(42)25-24(27(18)39)29(41)22-17(31(25)46-2)9-8-14-10-15(21(32(43)44)28(40)20(14)22)12-34-36-33(45)35-16-6-4-3-5-7-16/h10-12,16,37-38,40-41H,3-9H2,1-2H3,(H,43,44)(H2,35,36,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hans-Kn�ll Institute of Natural Products Research Curated by ChEMBL					Assay Description Inhibitory activity againist Estrone sulfatase from MCF-7 cells (placental microsomes)				Bioorg Med Chem Lett 12: 1339-42 (2002) BindingDB Entry DOI: 10.7270/Q27D2VNJ
					More data for this Ligand-Target Pair