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SMILES: CCOc1cc(cc(OC)c1Cl)C1CCN(CC1)C(=O)CC[C@H]1NC(=O)NC1=O

InChI Key: InChIKey=WIVGLBVPOCFAER-CQSZACIVSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 429768   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM429768
PNG
((5R)-5-[3-[4- (4-chloro-3- ethoxy-5- methoxy- phen...)
Show SMILES CCOc1cc(cc(OC)c1Cl)C1CCN(CC1)C(=O)CC[C@H]1NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClN3O5/c1-3-29-16-11-13(10-15(28-2)18(16)21)12-6-8-24(9-7-12)17(25)5-4-14-19(26)23-20(27)22-14/h10-12,14H,3-9H2,1-2H3,(H2,22,23,26,27)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by human ADAMTS-5.For the dose res...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM429768
PNG
((5R)-5-[3-[4- (4-chloro-3- ethoxy-5- methoxy- phen...)
Show SMILES CCOc1cc(cc(OC)c1Cl)C1CCN(CC1)C(=O)CC[C@H]1NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClN3O5/c1-3-29-16-11-13(10-15(28-2)18(16)21)12-6-8-24(9-7-12)17(25)5-4-14-19(26)23-20(27)22-14/h10-12,14H,3-9H2,1-2H3,(H2,22,23,26,27)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate 5FAM-LAQAVRSSSRK-5TAMRA (SEQ ID No 3) (Anaspec, custom 34891) by human TACE (R&D SYSTEMS INC...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 6


(Human)
BDBM429768
PNG
((5R)-5-[3-[4- (4-chloro-3- ethoxy-5- methoxy- phen...)
Show SMILES CCOc1cc(cc(OC)c1Cl)C1CCN(CC1)C(=O)CC[C@H]1NC(=O)NC1=O |r|
Show InChI InChI=1S/C20H26ClN3O5/c1-3-29-16-11-13(10-15(28-2)18(16)21)12-6-8-24(9-7-12)17(25)5-4-14-19(26)23-20(27)22-14/h10-12,14H,3-9H2,1-2H3,(H2,22,23,26,27)/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.5n/an/an/an/an/an/a



GALAPAGOS NV

US Patent


Assay Description
The basis for the assay is the cleavage of the substrate 520 MMP FRET substrate XII by human ADAMTS6.The substrate contains sequence Arg-Pro-Lys-Pro-...


US Patent US10550100 (2020)


BindingDB Entry DOI: 10.7270/Q2D2211N
More data for this
Ligand-Target Pair