BDBM50196637 CHEMBL3907730

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC

InChI Key: InChIKey=HHVZIHMMVKGUNH-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 = 50196637   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	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))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	441	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 1 (Homo sapiens (Human))	BDBM50196637 (CHEMBL3907730) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	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