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BDBM50441220 CHEMBL2431019

SMILES: ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1

InChI Key: InChIKey=GPJRFRUTVIKWFY-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50441220   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441220
PNG
(CHEMBL2431019)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H17N3O5S/c22-17(21-23)11-20-27(24,25)16-8-6-15(7-9-16)26-12-14-4-1-3-13-5-2-10-19-18(13)14/h1-10,20,23H,11-12H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50441220
PNG
(CHEMBL2431019)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H17N3O5S/c22-17(21-23)11-20-27(24,25)16-8-6-15(7-9-16)26-12-14-4-1-3-13-5-2-10-19-18(13)14/h1-10,20,23H,11-12H2,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair