BDBM50380385 CHEMBL2018447

SMILES: NC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO

InChI Key: InChIKey=XMGCUYASPMBGEV-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 = 50380385   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380385 (CHEMBL2018447) Show SMILES NC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.459	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50380385 (CHEMBL2018447) Show SMILES NC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair