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BDBM50183711 CHEMBL208009::N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide

SMILES: Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1

InChI Key: InChIKey=BODLESUVCQEUII-UHFFFAOYSA-N

Data: 13 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 15 hits for monomerid = 50183711   
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-7 (MMP7)


(Homo sapiens (Human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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91n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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97n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ADAMTS5


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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217n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
ADAMTS1


(Homo sapiens)
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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776n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ADAMTS1


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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1.83E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ADAMTS4


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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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: 2699-704 (2006)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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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: 2699-704 (2006)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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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: 2699-704 (2006)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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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: 2699-704 (2006)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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>5.29E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP14


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens)
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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>5.55E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP16


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens)
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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>7.09E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP15


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183711
PNG
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human whole blood


Bioorg Med Chem Lett 16: 2699-704 (2006)

More data for this
Ligand-Target Pair