BDBM50458481 CHEMBL4218554

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CC1)C(=O)NO

InChI Key: InChIKey=MJTPMHFMIZNDEU-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 = 50458481   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50458481 (CHEMBL4218554) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CC1)C(=O)NO Show InChI InChI=1S/C23H30N6O4/c1-4-6-17-19-20(28(3)26-17)23(31)25-21(24-19)16-13-15(7-8-18(16)33-5-2)29-11-9-14(10-12-29)22(30)27-32/h7-8,13-14,32H,4-6,9-12H2,1-3H3,(H,27,30)(H,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50458481 (CHEMBL4218554) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CC1)C(=O)NO Show InChI InChI=1S/C23H30N6O4/c1-4-6-17-19-20(28(3)26-17)23(31)25-21(24-19)16-13-15(7-8-18(16)33-5-2)29-11-9-14(10-12-29)22(30)27-32/h7-8,13-14,32H,4-6,9-12H2,1-3H3,(H,27,30)(H,24,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+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 human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50458481 (CHEMBL4218554) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CC1)C(=O)NO Show InChI InChI=1S/C23H30N6O4/c1-4-6-17-19-20(28(3)26-17)23(31)25-21(24-19)16-13-15(7-8-18(16)33-5-2)29-11-9-14(10-12-29)22(30)27-32/h7-8,13-14,32H,4-6,9-12H2,1-3H3,(H,27,30)(H,24,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 human recombinant C-terminal His-tagged HDAC2 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50458481 (CHEMBL4218554) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CC1)C(=O)NO Show InChI InChI=1S/C23H30N6O4/c1-4-6-17-19-20(28(3)26-17)23(31)25-21(24-19)16-13-15(7-8-18(16)33-5-2)29-11-9-14(10-12-29)22(30)27-32/h7-8,13-14,32H,4-6,9-12H2,1-3H3,(H,27,30)(H,24,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+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 human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC subst...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair