BDBM50198218 5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide::ADS-102550::CHEMBL217716

SMILES: ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1

InChI Key: InChIKey=CCCCPSHFLXQUBH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50198218   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198218 (5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 370-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.048 BindingDB Entry DOI: 10.7270/Q21J99FD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50198218 (5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50198218 (5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50198218 (5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...) Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd Curated by ChEMBL					Assay Description Inhibition of CYP450 3A4				Bioorg Med Chem Lett 17: 363-9 (2007) Article DOI: 10.1016/j.bmcl.2006.10.045 BindingDB Entry DOI: 10.7270/Q2VT1RR0
					More data for this Ligand-Target Pair