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BDBM50356945 CHEMBL1916053

SMILES: CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1

InChI Key: InChIKey=RHVLZBAJLKIMQO-GOSISDBHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50356945   
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))
BDBM50356945
PNG
(CHEMBL1916053)
Show SMILES CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1 |r,t:1|
Show InChI InChI=1S/C19H19ClN2O5S/c1-13-2-11-18(19(23)22(24)12-13)21-28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h2-10,18,21,24H,11-12H2,1H3/t18-/m1/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 2n/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))
BDBM50356945
PNG
(CHEMBL1916053)
Show SMILES CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1 |r,t:1|
Show InChI InChI=1S/C19H19ClN2O5S/c1-13-2-11-18(19(23)22(24)12-13)21-28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h2-10,18,21,24H,11-12H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.30n/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