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BDBM50356960 CHEMBL1916211

SMILES: ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O

InChI Key: InChIKey=SRFKWSJTGCWGBQ-XMMPIXPASA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50356960   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair