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BDBM126732 US8785489, 4-{[({4-[2-(ethoxycarbonyl)-1H-indol-5-yl]pyridin-2-yl}carbonyl)amino]methyl}benzoic acid

SMILES: CCOC(=O)c1cc2cc(ccc2[nH]1)-c1ccnc(c1)C(=O)NCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=ZKWIVWMUPDDWHD-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126732   
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
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126732
PNG
(US8785489, 4-{[({4-[2-(ethoxycarbonyl)-1H-indol-5-...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1ccnc(c1)C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H21N3O5/c1-2-33-25(32)22-13-19-11-17(7-8-20(19)28-22)18-9-10-26-21(12-18)23(29)27-14-15-3-5-16(6-4-15)24(30)31/h3-13,28H,2,14H2,1H3,(H,27,29)(H,30,31)
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair