BDBM50196677 CHEMBL3932796

SMILES: CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1

InChI Key: InChIKey=OBSWAJPHUIIWSD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50196677   

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))	BDBM50196677 (CHEMBL3932796) Show SMILES CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H29N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-10,12,15,34H,4-5,11,13-14H2,1-3H3,(H,30,32)(H,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC subst...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50196677 (CHEMBL3932796) Show SMILES CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H29N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-10,12,15,34H,4-5,11,13-14H2,1-3H3,(H,30,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus in...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50196677 (CHEMBL3932796) Show SMILES CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H29N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-10,12,15,34H,4-5,11,13-14H2,1-3H3,(H,30,32)(H,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate ...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196677 (CHEMBL3932796) Show SMILES CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H29N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-10,12,15,34H,4-5,11,13-14H2,1-3H3,(H,30,32)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50196677 (CHEMBL3932796) Show SMILES CCOc1ccc(Cc2ccc(CCC(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H29N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-10,12,15,34H,4-5,11,13-14H2,1-3H3,(H,30,32)(H,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate ...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair