BDBM50505496 CHEMBL3431127

SMILES: COc1ccc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1

InChI Key: InChIKey=OWHDETKHTAYSHV-UHFFFAOYSA-N

Data: 2 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 = 50505496   

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
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505496 (CHEMBL3431127) Show SMILES COc1ccc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1 Show InChI InChI=1S/C22H23N7O2/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-4-6-16(7-5-14)31-17-10-8-15(30-3)9-11-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505496 (CHEMBL3431127) Show SMILES COc1ccc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1 Show InChI InChI=1S/C22H23N7O2/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-4-6-16(7-5-14)31-17-10-8-15(30-3)9-11-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of ...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638
					More data for this Ligand-Target Pair