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6 similar compounds to monomer 50295501

Compile data set for download or QSAR
Wt: 436.5
BDBM50295490
Wt: 436.5
BDBM50295491
Wt: 450.5
BDBM50295494
Wt: 450.5
BDBM50295495
Wt: 498.5
BDBM50295500
Wt: 516.5
BDBM50295502

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50295490,50295491,50295494,50295495,50295500,50295502   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM50295490
PNG
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50295491
PNG
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50295494
PNG
((R)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...)
Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50295495
PNG
((S)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...)
Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50295500
PNG
((S)-3-Methyl-2-(7-(phenoxycarbonylamino)dibenzo[b,...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc21)C(O)=O
Show InChI InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50295502
PNG
((S)-2-(7-((4-Fluorophenoxy)carbonylamino)dibenzo[b...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(F)cc3)ccc21)C(O)=O
Show InChI InChI=1S/C24H21FN2O6S2/c1-13(2)22(23(28)29)27-35(31,32)17-8-10-19-18-9-5-15(11-20(18)34-21(19)12-17)26-24(30)33-16-6-3-14(25)4-7-16/h3-13,22,27H,1-2H3,(H,26,30)(H,28,29)/t22-/m0/s1
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n/an/a 217n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50295490
PNG
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50295491
PNG
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1
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n/an/a 632n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50295495
PNG
((S)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...)
Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50295500
PNG
((S)-3-Methyl-2-(7-(phenoxycarbonylamino)dibenzo[b,...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc21)C(O)=O
Show InChI InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1
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n/an/a 225n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50295502
PNG
((S)-2-(7-((4-Fluorophenoxy)carbonylamino)dibenzo[b...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(F)cc3)ccc21)C(O)=O
Show InChI InChI=1S/C24H21FN2O6S2/c1-13(2)22(23(28)29)27-35(31,32)17-8-10-19-18-9-5-15(11-20(18)34-21(19)12-17)26-24(30)33-16-6-3-14(25)4-7-16/h3-13,22,27H,1-2H3,(H,26,30)(H,28,29)/t22-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair