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SMILES: CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO

InChI Key: InChIKey=DFSJOYHCSMRYOD-UHFFFAOYSA-N

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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 2 hits for monomerid = 50028940   
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 metalloproteinase-9


(Homo sapiens (Human))
BDBM50028940
PNG
(CHEMBL3359657)
Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Universidad CEU San Pablo

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


J Med Chem 57: 10205-19 (2014)


Article DOI: 10.1021/jm500505f
BindingDB Entry DOI: 10.7270/Q2NK3GMC
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50028940
PNG
(CHEMBL3359657)
Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Universidad CEU San Pablo

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


J Med Chem 57: 10205-19 (2014)


Article DOI: 10.1021/jm500505f
BindingDB Entry DOI: 10.7270/Q2NK3GMC
More data for this
Ligand-Target Pair