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3 similar compounds to monomer 30344

Compile data set for download or QSAR
Wt: 410.5
BDBM50290087
Wt: 469.5
BDBM50290088
Wt: 436.5
BDBM50290090

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50290087,50290088,50290090   
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))
BDBM50290088
PNG
((2S,3R)-N*1*-((R)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H39N5O6/c1-12(2)10-13(16(28)24-15(18(30)23-8)21(3,4)5)14(17(29)25-33)11-27-19(31)22(6,7)26(9)20(27)32/h12-15,33H,10-11H2,1-9H3,(H,23,30)(H,24,28)(H,25,29)/t13-,14-,15+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human gelatinase B, MMP9


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50290090
PNG
((2S,3R)-3-Cyclopentylmethyl-N-hydroxy-4-oxo-4-pipe...)
Show SMILES CN1C(=O)N(C[C@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human gelatinase B, MMP9


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50290087
PNG
((2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,...)
Show SMILES CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H34N4O5/c1-13(2)11-14(17(26)23-9-7-6-8-10-23)15(16(25)21-29)12-24-18(27)20(3,4)22(5)19(24)28/h13-15,29H,6-12H2,1-5H3,(H,21,25)/t14-,15-/m1/s1
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n/an/a 237n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human gelatinase B, MMP9


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50290088
PNG
((2S,3R)-N*1*-((R)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H39N5O6/c1-12(2)10-13(16(28)24-15(18(30)23-8)21(3,4)5)14(17(29)25-33)11-27-19(31)22(6,7)26(9)20(27)32/h12-15,33H,10-11H2,1-9H3,(H,23,30)(H,24,28)(H,25,29)/t13-,14-,15+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290090
PNG
((2S,3R)-3-Cyclopentylmethyl-N-hydroxy-4-oxo-4-pipe...)
Show SMILES CN1C(=O)N(C[C@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17-/m1/s1
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n/an/a 527n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1, MMP-3


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50290090
PNG
((2S,3R)-3-Cyclopentylmethyl-N-hydroxy-4-oxo-4-pipe...)
Show SMILES CN1C(=O)N(C[C@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17-/m1/s1
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Article
n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50290087
PNG
((2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,...)
Show SMILES CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H34N4O5/c1-13(2)11-14(17(26)23-9-7-6-8-10-23)15(16(25)21-29)12-24-18(27)20(3,4)22(5)19(24)28/h13-15,29H,6-12H2,1-5H3,(H,21,25)/t14-,15-/m1/s1
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Article
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290087
PNG
((2S,3R)-5-Methyl-3-(piperidine-1-carbonyl)-2-(3,4,...)
Show SMILES CC(C)C[C@H]([C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H34N4O5/c1-13(2)11-14(17(26)23-9-7-6-8-10-23)15(16(25)21-29)12-24-18(27)20(3,4)22(5)19(24)28/h13-15,29H,6-12H2,1-5H3,(H,21,25)/t14-,15-/m1/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1, MMP-3


Bioorg Med Chem Lett 7: 2299-2302 (1997)


Article DOI: 10.1016/S0960-894X(97)00416-2
BindingDB Entry DOI: 10.7270/Q26T0MM8
More data for this
Ligand-Target Pair