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3 similar compounds to monomer 144347

Compile data set for download or QSAR
Wt: 361.3
BDBM144340
Wt: 423.4
BDBM144345
Wt: 403.4
BDBM144346

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 144340,144345,144346   
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))
BDBM144340
PNG
(US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]...)
Show SMILES Cc1cccc2n(C)cc(Cc3nn(CC(O)=O)c(=O)c4ccccc34)c12
Show InChI InChI=1S/C21H19N3O3/c1-13-6-5-9-18-20(13)14(11-23(18)2)10-17-15-7-3-4-8-16(15)21(27)24(22-17)12-19(25)26/h3-9,11H,10,12H2,1-2H3,(H,25,26)
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PC cid
PC sid
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Similars

US Patent
n/an/a 50n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....


US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM144346
PNG
(US8969348, 2-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy...)
Show SMILES CCCC(C(O)=O)n1nc(Cc2cn(C)c3cccc(C)c23)c2ccccc2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-4-8-21(24(29)30)27-23(28)18-11-6-5-10-17(18)19(25-27)13-16-14-26(3)20-12-7-9-15(2)22(16)20/h5-7,9-12,14,21H,4,8,13H2,1-3H3,(H,29,30)
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PC cid
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Similars

US Patent
n/an/a 9n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....


US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM144345
PNG
(US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o...)
Show SMILES Cn1cc(Cc2nn(C(C(O)=O)c3ccccc3)c(=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H21N3O3/c1-28-16-18(19-11-7-8-14-23(19)28)15-22-20-12-5-6-13-21(20)25(30)29(27-22)24(26(31)32)17-9-3-2-4-10-17/h2-14,16,24H,15H2,1H3,(H,31,32)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 360n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....


US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair