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BDBM50177314 2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-dioxo-[1,2,5]thiadiazolidine-3-carboxylic acid hydroxyamide::CHEMBL379469

SMILES: Cc1cc(COc2ccc(cc2)N2C(CNS2(=O)=O)C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=IGMJBXNPPIZSAX-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50177314   
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


(Homo sapiens (Human))
BDBM50177314
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(cc2)N2C(CNS2(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O5S/c1-13-10-14(17-4-2-3-5-18(17)22-13)12-29-16-8-6-15(7-9-16)24-19(20(25)23-26)11-21-30(24,27)28/h2-10,19,21,26H,11-12H2,1H3,(H,23,25)
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PC sid
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50177314
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(cc2)N2C(CNS2(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O5S/c1-13-10-14(17-4-2-3-5-18(17)22-13)12-29-16-8-6-15(7-9-16)24-19(20(25)23-26)11-21-30(24,27)28/h2-10,19,21,26H,11-12H2,1H3,(H,23,25)
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50177314
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(cc2)N2C(CNS2(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O5S/c1-13-10-14(17-4-2-3-5-18(17)22-13)12-29-16-8-6-15(7-9-16)24-19(20(25)23-26)11-21-30(24,27)28/h2-10,19,21,26H,11-12H2,1H3,(H,23,25)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50177314
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(cc2)N2C(CNS2(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O5S/c1-13-10-14(17-4-2-3-5-18(17)22-13)12-29-16-8-6-15(7-9-16)24-19(20(25)23-26)11-21-30(24,27)28/h2-10,19,21,26H,11-12H2,1H3,(H,23,25)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50177314
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(cc2)N2C(CNS2(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O5S/c1-13-10-14(17-4-2-3-5-18(17)22-13)12-29-16-8-6-15(7-9-16)24-19(20(25)23-26)11-21-30(24,27)28/h2-10,19,21,26H,11-12H2,1H3,(H,23,25)
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n/an/a 8.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair