BDBM50450771 CHEMBL326655

SMILES: COc1cccc(COc2cc(cc(c2)C(=O)NN(C)C)N2CC(CC2=O)c2ccc(OC)c(OC3CCCC3)c2)c1

InChI Key: InChIKey=VNKRGOHAYGVCDA-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 = 50450771   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50450771 (CHEMBL326655) Show SMILES COc1cccc(COc2cc(cc(c2)C(=O)NN(C)C)N2CC(CC2=O)c2ccc(OC)c(OC3CCCC3)c2)c1 Show InChI InChI=1S/C33H39N3O6/c1-35(2)34-33(38)24-15-26(19-29(16-24)41-21-22-8-7-11-28(14-22)39-3)36-20-25(18-32(36)37)23-12-13-30(40-4)31(17-23)42-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3,(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase (PDE) 4A				Bioorg Med Chem Lett 8: 3229-34 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2Z11
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50450771 (CHEMBL326655) Show SMILES COc1cccc(COc2cc(cc(c2)C(=O)NN(C)C)N2CC(CC2=O)c2ccc(OC)c(OC3CCCC3)c2)c1 Show InChI InChI=1S/C33H39N3O6/c1-35(2)34-33(38)24-15-26(19-29(16-24)41-21-22-8-7-11-28(14-22)39-3)36-20-25(18-32(36)37)23-12-13-30(40-4)31(17-23)42-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3,(H,34,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase (PDE) 3				Bioorg Med Chem Lett 8: 3229-34 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2Z11
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50450771 (CHEMBL326655) Show SMILES COc1cccc(COc2cc(cc(c2)C(=O)NN(C)C)N2CC(CC2=O)c2ccc(OC)c(OC3CCCC3)c2)c1 Show InChI InChI=1S/C33H39N3O6/c1-35(2)34-33(38)24-15-26(19-29(16-24)41-21-22-8-7-11-28(14-22)39-3)36-20-25(18-32(36)37)23-12-13-30(40-4)31(17-23)42-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase (PDE) 4D				Bioorg Med Chem Lett 8: 3229-34 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2Z11
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (RAT)	BDBM50450771 (CHEMBL326655) Show SMILES COc1cccc(COc2cc(cc(c2)C(=O)NN(C)C)N2CC(CC2=O)c2ccc(OC)c(OC3CCCC3)c2)c1 Show InChI InChI=1S/C33H39N3O6/c1-35(2)34-33(38)24-15-26(19-29(16-24)41-21-22-8-7-11-28(14-22)39-3)36-20-25(18-32(36)37)23-12-13-30(40-4)31(17-23)42-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase (PDE) 4B				Bioorg Med Chem Lett 8: 3229-34 (1999) BindingDB Entry DOI: 10.7270/Q2ZS2Z11
					More data for this Ligand-Target Pair