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BDBM50314581 (4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3,2-d]pyridazin-4-ylamino)propyl)piperazin-1-yl)(thiazol-5-yl)methanone::CHEMBL1090049

SMILES: Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cncs3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C

InChI Key: InChIKey=UPBAPPIVPZDTMO-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50314581   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314581
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cncs3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C25H28N8O3S/c1-17-13-20-23(30(17)2)22(18-5-3-6-19(14-18)33(35)36)28-29-24(20)27-7-4-8-31-9-11-32(12-10-31)25(34)21-15-26-16-37-21/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
222n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50314581
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cncs3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C25H28N8O3S/c1-17-13-20-23(30(17)2)22(18-5-3-6-19(14-18)33(35)36)28-29-24(20)27-7-4-8-31-9-11-32(12-10-31)25(34)21-15-26-16-37-21/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.27E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair