BDBM50544227 CHEMBL4634501

SMILES: CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F

InChI Key: InChIKey=HCEDLZCUHOEHNH-FQEVSTJZSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50544227   

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 1 (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant FLAG-tagged HDAC1 expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs follo...				ACS Med Chem Lett 11: 1476-1483 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using FLUOR DE LYS as substrate preincubate...				ACS Med Chem Lett 11: 1476-1483 (2020)
					More data for this Ligand-Target Pair
Class 1 histone deacetylase (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of class 1 HDAC in human Jurkat model of HIV latency assessed as reactivation of HIV latency incubated for 20 hrs in presence of 5% NHS by...				ACS Med Chem Lett 11: 1476-1483 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>900	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins...				ACS Med Chem Lett 11: 1476-1483 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 expressed in Escherichia coli using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addi...				ACS Med Chem Lett 11: 1476-1483 (2020)
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50544227 (CHEMBL4634501) Show SMILES CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(o1)-c1ccccc1F |r| Show InChI InChI=1S/C24H27FN4O4/c1-29-14-16(15-29)23(31)27-20(9-3-2-4-10-21(30)19-11-12-32-28-19)24-26-13-22(33-24)17-7-5-6-8-18(17)25/h5-8,11-13,16,20H,2-4,9-10,14-15H2,1H3,(H,27,31)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as s...				ACS Med Chem Lett 11: 1476-1483 (2020)
					More data for this Ligand-Target Pair