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BDBM50066663 1,3-Bis-(4-methoxy-benzenesulfonyl)-[1,3]diazepane-2-carboxylic acid hydroxyamide::CHEMBL120305

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=URZNSEWPQRLLLE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50066663   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50066663
PNG
(1,3-Bis-(4-methoxy-benzenesulfonyl)-[1,3]diazepane...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-5-9-17(10-6-15)32(26,27)22-13-3-4-14-23(20(22)19(24)21-25)33(28,29)18-11-7-16(31-2)8-12-18/h5-12,20,25H,3-4,13-14H2,1-2H3,(H,21,24)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


J Med Chem 41: 3568-71 (1998)


Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50066663
PNG
(1,3-Bis-(4-methoxy-benzenesulfonyl)-[1,3]diazepane...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-5-9-17(10-6-15)32(26,27)22-13-3-4-14-23(20(22)19(24)21-25)33(28,29)18-11-7-16(31-2)8-12-18/h5-12,20,25H,3-4,13-14H2,1-2H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 827n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


J Med Chem 41: 3568-71 (1998)


Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F
More data for this
Ligand-Target Pair