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BDBM50077411 (R)-2-[4-(4-Dimethylamino-phenoxy)-benzenesulfonyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide::CHEMBL292226

SMILES: CN(C)c1ccc(Oc2ccc(cc2)S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1

InChI Key: InChIKey=JXSWSZIEDSTKDW-HSZRJFAPSA-N

Data: 1 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 1 hit for monomerid = 50077411   
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))
BDBM50077411
PNG
((R)-2-[4-(4-Dimethylamino-phenoxy)-benzenesulfonyl...)
Show SMILES CN(C)c1ccc(Oc2ccc(cc2)S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1
Show InChI InChI=1S/C24H25N3O5S/c1-26(2)19-7-9-20(10-8-19)32-21-11-13-22(14-12-21)33(30,31)27-16-18-6-4-3-5-17(18)15-23(27)24(28)25-29/h3-14,23,29H,15-16H2,1-2H3,(H,25,28)/t23-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Hoechst Marion Roussel

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