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BDBM50152915 CHEMBL185321::N-Hydroxy-2-{2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-piperidin-2-yl}-acetamide

SMILES: Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1

InChI Key: InChIKey=MBVFAXQWLSRZPW-UHFFFAOYNA-N

Data: 4 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50152915   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50152915
PNG
(CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1
Show InChI InChI=1/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)
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PubMed
753n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50152915
PNG
(CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1
Show InChI InChI=1/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)
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>2.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9 (MMP-9)


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50152915
PNG
(CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1
Show InChI InChI=1/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)
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>3.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
inhibition of Matrix metalloprotease-2 (MMP-2)


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50152915
PNG
(CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1
Show InChI InChI=1/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)
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>4.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50152915
PNG
(CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1
Show InChI InChI=1/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50152915
PNG
(CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1
Show InChI InChI=1/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)
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n/an/a 632n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effect on TNF-Alpha release in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair