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BDBM50335862 (5S,11aR)5-(2,4-Dichlorophenyl)-2-tert-butyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione::CHEMBL1650684::CHEMBL1650685

SMILES: CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)n2c1=O

InChI Key: InChIKey=XGMWOTOMWQCKKY-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 50335862   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50335862
PNG
((5S,11aR)5-(2,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)
Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)n2c1=O |r|
Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-15-13-6-4-5-7-17(13)26-19(15)20(27(18)22(28)30)14-9-8-12(24)10-16(14)25/h4-10,20,26,29H,11H2,1-3H3/t20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay


J Med Chem 54: 495-509 (2011)


Article DOI: 10.1021/jm100842v
BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50335862
PNG
((5S,11aR)5-(2,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)
Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)n2c1=O |r|
Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-15-13-6-4-5-7-17(13)26-19(15)20(27(18)22(28)30)14-9-8-12(24)10-16(14)25/h4-10,20,26,29H,11H2,1-3H3/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.14E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay


J Med Chem 54: 495-509 (2011)


Article DOI: 10.1021/jm100842v
BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
More data for this
Ligand-Target Pair