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BDBM100338 US8501749, 38

SMILES: CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccncc2c1=O

InChI Key: InChIKey=ULUMWLDVZQGMCT-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100338   
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
Chymase


(Homo sapiens (human))
BDBM100338
PNG
(US8501749, 38)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(10-21(29)30)28-23(31)18-11-25-7-6-19(18)27(24(28)32)13-16-12-26(4)20-9-14(2)8-15(3)22(16)20/h6-9,11-12,17H,5,10,13H2,1-4H3,(H,29,30)/t17-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 0.700n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair