BDBM50196644 CHEMBL3978271

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC

InChI Key: InChIKey=VAGXJSNOXOLDAD-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 = 50196644   

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))	BDBM50196644 (CHEMBL3978271) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C28H35N9O4/c1-4-6-21-23-24(36(3)34-21)27(39)33-25(32-23)20-13-19(7-8-22(20)41-5-2)29-14-17-9-11-37(12-10-17)28-30-15-18(16-31-28)26(38)35-40/h7-8,13,15-17,29,40H,4-6,9-12,14H2,1-3H3,(H,35,38)(H,32,33,39)	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	118	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))	BDBM50196644 (CHEMBL3978271) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C28H35N9O4/c1-4-6-21-23-24(36(3)34-21)27(39)33-25(32-23)20-13-19(7-8-22(20)41-5-2)29-14-17-9-11-37(12-10-17)28-30-15-18(16-31-28)26(38)35-40/h7-8,13,15-17,29,40H,4-6,9-12,14H2,1-3H3,(H,35,38)(H,32,33,39)	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	17	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50196644 (CHEMBL3978271) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C28H35N9O4/c1-4-6-21-23-24(36(3)34-21)27(39)33-25(32-23)20-13-19(7-8-22(20)41-5-2)29-14-17-9-11-37(12-10-17)28-30-15-18(16-31-28)26(38)35-40/h7-8,13,15-17,29,40H,4-6,9-12,14H2,1-3H3,(H,35,38)(H,32,33,39)	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	712	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50196644 (CHEMBL3978271) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C28H35N9O4/c1-4-6-21-23-24(36(3)34-21)27(39)33-25(32-23)20-13-19(7-8-22(20)41-5-2)29-14-17-9-11-37(12-10-17)28-30-15-18(16-31-28)26(38)35-40/h7-8,13,15-17,29,40H,4-6,9-12,14H2,1-3H3,(H,35,38)(H,32,33,39)	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	709	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