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BDBM279172 1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-::US10034861, Example 203

SMILES: CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1nncn1C

InChI Key: InChIKey=KAIFDCSXZCWWKF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 279172   
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
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279172
PNG
(1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1nncn1C
Show InChI InChI=1S/C18H23N9/c1-11(2)27-17-14(19-7-13-8-21-26(5)9-13)6-15(18-23-20-10-25(18)4)22-16(17)12(3)24-27/h6,8-11H,7H2,1-5H3,(H,19,22)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 410n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM279172
PNG
(1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1nncn1C
Show InChI InChI=1S/C18H23N9/c1-11(2)27-17-14(19-7-13-8-21-26(5)9-13)6-15(18-23-20-10-25(18)4)22-16(17)12(3)24-27/h6,8-11H,7H2,1-5H3,(H,19,22)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 420n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (human))
BDBM279172
PNG
(1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1nncn1C
Show InChI InChI=1S/C18H23N9/c1-11(2)27-17-14(19-7-13-8-21-26(5)9-13)6-15(18-23-20-10-25(18)4)22-16(17)12(3)24-27/h6,8-11H,7H2,1-5H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair