BDBM50196770 CHEMBL3979179

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO

InChI Key: InChIKey=MXAAVNPVSLHVKO-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 = 50196770   

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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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 6 (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	584	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196770 (CHEMBL3979179) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N(C)C1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C28H35N9O4/c1-5-7-21-23-24(36(4)33-21)27(39)32-25(31-23)20-14-19(8-9-22(20)41-6-2)35(3)18-10-12-37(13-11-18)28-29-15-17(16-30-28)26(38)34-40/h8-9,14-16,18,40H,5-7,10-13H2,1-4H3,(H,34,38)(H,31,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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