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BDBM50366197 CHEMBL1957595

SMILES: ONC(=O)[C@@H]1CSC(=O)N1Cc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ZNKFBFNCKBPGMH-HNNXBMFYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50366197   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50366197
PNG
(CHEMBL1957595)
Show SMILES ONC(=O)[C@@H]1CSC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c20-16(18-22)15-11-23-17(21)19(15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,18,20)/t15-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50366197
PNG
(CHEMBL1957595)
Show SMILES ONC(=O)[C@@H]1CSC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c20-16(18-22)15-11-23-17(21)19(15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,18,20)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair