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BDBM50338586 CHEMBL1683806::N'-(1-(3,3-dimethyl-2-oxoindolin-5-yl)ethylidene)-4-methylbenzenesulfonohydrazide

InChI string: InChI=1S/C19H21N3O3S/c1-12-5-8-15(9-6-12)26(24,25)22-21-13(2)14-7-10-17-16(11-14)19(3,4)18(23)20-17/h5-11,22H,1-4H3,(H,20,23)

SMILES: CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2NC(=O)C(C)(C)c2c1

InChI Key: InChIKey=XMRCFPLZZLTWKE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338586   
Target
(Institution)
LigandTarget
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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50338586
PNG
(CHEMBL1683806 | N'-(1-(3,3-dimethyl-2-oxoindolin-5...)
Show SMILES CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2NC(=O)C(C)(C)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-12-5-8-15(9-6-12)26(24,25)22-21-13(2)14-7-10-17-16(11-14)19(3,4)18(23)20-17/h5-11,22H,1-4H3,(H,20,23)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 14.8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A


Bioorg Med Chem Lett 21: 1617-20 (2011)

More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (human))
BDBM50338586
PNG
(CHEMBL1683806 | N'-(1-(3,3-dimethyl-2-oxoindolin-5...)
Show SMILES CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2NC(=O)C(C)(C)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-12-5-8-15(9-6-12)26(24,25)22-21-13(2)14-7-10-17-16(11-14)19(3,4)18(23)20-17/h5-11,22H,1-4H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 88.4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B


Bioorg Med Chem Lett 21: 1617-20 (2011)

More data for this
Ligand-Target Pair