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SMILES: NC(=N)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1

InChI Key: InChIKey=BZKOBLHHRSTMHO-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 408486   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM408486
PNG
(US10357546, ND-3640)
Show SMILES NC(=N)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H17N3O3S2/c17-16(18)19-11-1-3-12(4-2-11)22-13-5-7-15(8-6-13)24(20,21)10-14-9-23-14/h1-8,14H,9-10H2,(H4,17,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
93n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM408486
PNG
(US10357546, ND-3640)
Show SMILES NC(=N)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H17N3O3S2/c17-16(18)19-11-1-3-12(4-2-11)22-13-5-7-15(8-6-13)24(20,21)10-14-9-23-14/h1-8,14H,9-10H2,(H4,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
730n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair