BDBM50458476 CHEMBL4207538

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO

InChI Key: InChIKey=USGFHVSYPWSGEG-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 = 50458476   

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))	BDBM50458476 (CHEMBL4207538) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-21-22(31(3)29-19)26(33)28-24(27-21)18-14-17(12-13-20(18)36-6-2)23(35-4)15-8-10-16(11-9-15)25(32)30-34/h8-14,23,34H,5-7H2,1-4H3,(H,30,32)(H,27,28,33)	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	357	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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50458476 (CHEMBL4207538) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-21-22(31(3)29-19)26(33)28-24(27-21)18-14-17(12-13-20(18)36-6-2)23(35-4)15-8-10-16(11-9-15)25(32)30-34/h8-14,23,34H,5-7H2,1-4H3,(H,30,32)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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))	BDBM50458476 (CHEMBL4207538) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-21-22(31(3)29-19)26(33)28-24(27-21)18-14-17(12-13-20(18)36-6-2)23(35-4)15-8-10-16(11-9-15)25(32)30-34/h8-14,23,34H,5-7H2,1-4H3,(H,30,32)(H,27,28,33)	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	77	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))	BDBM50458476 (CHEMBL4207538) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(OC)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H29N5O5/c1-5-7-19-21-22(31(3)29-19)26(33)28-24(27-21)18-14-17(12-13-20(18)36-6-2)23(35-4)15-8-10-16(11-9-15)25(32)30-34/h8-14,23,34H,5-7H2,1-4H3,(H,30,32)(H,27,28,33)	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	1.11E+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 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