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BDBM50077396 (R)-2-[5-(2-Methylsulfanyl-pyrimidin-4-yl)-thiophene-2-sulfonyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide::CHEMBL56867

SMILES: CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO

InChI Key: InChIKey=WYWULSIANADMTA-OAHLLOKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077396   
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-8 (MMP-8)


(Homo sapiens (Human))
BDBM50077396
PNG
((R)-2-[5-(2-Methylsulfanyl-pyrimidin-4-yl)-thiophe...)
Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H18N4O4S3/c1-28-19-20-9-8-14(21-19)16-6-7-17(29-16)30(26,27)23-11-13-5-3-2-4-12(13)10-15(23)18(24)22-25/h2-9,15,25H,10-11H2,1H3,(H,22,24)/t15-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]


J Med Chem 42: 1908-20 (1999)


Article DOI: 10.1021/jm980631s
BindingDB Entry DOI: 10.7270/Q2251JV5
More data for this
Ligand-Target Pair