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Compile Data Set for Download or QSAR

Found 164 hits from CEA   
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))
BDBM50265078
PNG
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of human MMP12 catalytic domain (98 to 266) at pH 6.8 by isothermal titration calorimetry


J Med Chem 56: 1149-59 (2013)


Article DOI: 10.1021/jm301574d
BindingDB Entry DOI: 10.7270/Q24F1S24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50265078
PNG
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry


J Med Chem 56: 1149-59 (2013)


Article DOI: 10.1021/jm301574d
BindingDB Entry DOI: 10.7270/Q24F1S24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50426080
PNG
(CHEMBL2316257)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry


J Med Chem 56: 1149-59 (2013)


Article DOI: 10.1021/jm301574d
BindingDB Entry DOI: 10.7270/Q24F1S24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50005293
PNG
(CHEMBL3125363)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCCCF
Show InChI InChI=1S/C25H29FN4O/c1-5-29(6-2)23(31)17-22-24(28-30-19(4)16-18(3)27-25(22)30)21-13-11-20(12-14-21)10-8-7-9-15-26/h11-14,16H,5-7,9,15,17H2,1-4H3
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0.350n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates


Bioorg Med Chem Lett 24: 1550-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.080
BindingDB Entry DOI: 10.7270/Q29S1SJD
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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<0.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50005295
PNG
(CHEMBL3125361)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCF
Show InChI InChI=1S/C23H25FN4O/c1-5-27(6-2)21(29)15-20-22(19-11-9-18(10-12-19)8-7-13-24)26-28-17(4)14-16(3)25-23(20)28/h9-12,14H,5-6,13,15H2,1-4H3
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0.540n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates


Bioorg Med Chem Lett 24: 1550-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.080
BindingDB Entry DOI: 10.7270/Q29S1SJD
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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0.700n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50005294
PNG
(CHEMBL3125362)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCCF
Show InChI InChI=1S/C24H27FN4O/c1-5-28(6-2)22(30)16-21-23(27-29-18(4)15-17(3)26-24(21)29)20-12-10-19(11-13-20)9-7-8-14-25/h10-13,15H,5-6,8,14,16H2,1-4H3
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0.740n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates


Bioorg Med Chem Lett 24: 1550-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.080
BindingDB Entry DOI: 10.7270/Q29S1SJD
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50005292
PNG
(CHEMBL3125364)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCCCCF
Show InChI InChI=1S/C26H31FN4O/c1-5-30(6-2)24(32)18-23-25(29-31-20(4)17-19(3)28-26(23)31)22-14-12-21(13-15-22)11-9-7-8-10-16-27/h12-15,17H,5-8,10,16,18H2,1-4H3
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0.790n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates


Bioorg Med Chem Lett 24: 1550-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.080
BindingDB Entry DOI: 10.7270/Q29S1SJD
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078935
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53)
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0.900n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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0.910n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates


Bioorg Med Chem Lett 24: 1550-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.080
BindingDB Entry DOI: 10.7270/Q29S1SJD
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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1.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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1.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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2n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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3n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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3.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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3.80n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50078936
PNG
(CHEMBL87786 | {2-[(2-Amino-1-carbamoyl-ethyl)-(2,4...)
Show SMILES NCC(N(C(=O)C(CCc1ccccc1)C[P+](O)([O-])C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C36H39N6O10P/c37-22-32(34(38)43)40(30-19-18-29(41(46)47)21-31(30)42(48)49)35(44)28(17-16-25-10-4-1-5-11-25)24-53(50,51)33(20-26-12-6-2-7-13-26)39-36(45)52-23-27-14-8-3-9-15-27/h1-15,18-19,21,28,32-33H,16-17,20,22-24,37H2,(H2,38,43)(H,39,45)(H,50,51)
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4n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7 Matrilysin


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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4n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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4.20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078953
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)
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4.30n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078928
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1ccccc1
Show InChI InChI=1S/C39H45N6O5P/c40-38(47)35(24-31-25-43-34-22-11-10-21-33(31)34)45(41)39(48)30(18-12-17-28-13-4-1-5-14-28)27-51(49,50)37(23-29-15-6-2-7-16-29)44-36(46)26-42-32-19-8-3-9-20-32/h1-11,13-16,19-22,25,30,35,37,42-43H,12,17-18,23-24,26-27,41H2,(H2,40,47)(H,44,46)(H,49,50)
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4.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078935
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078938
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
Show InChI InChI=1S/C41H40Cl2N5O7P/c42-30-19-28-20-32(41(52)55-37(28)33(43)22-30)39(50)47-36(18-26-12-5-2-6-13-26)56(53,54)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(45)35(38(44)49)21-29-23-46-34-17-8-7-16-31(29)34/h1-8,10-13,16-17,19-20,22-23,27,35-36,46H,9,14-15,18,21,24,45H2,(H2,44,49)(H,47,50)(H,53,54)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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5.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078939
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CCCCCCCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H47N4O6P/c1-2-3-4-5-12-19-29(36(43)40-33(35(38)42)23-30-24-39-32-21-14-13-20-31(30)32)26-48(45,46)34(22-27-15-8-6-9-16-27)41-37(44)47-25-28-17-10-7-11-18-28/h6-11,13-18,20-21,24,29,33-34,39H,2-5,12,19,22-23,25-26H2,1H3,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078928
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1ccccc1
Show InChI InChI=1S/C39H45N6O5P/c40-38(47)35(24-31-25-43-34-22-11-10-21-33(31)34)45(41)39(48)30(18-12-17-28-13-4-1-5-14-28)27-51(49,50)37(23-29-15-6-2-7-16-29)44-36(46)26-42-32-19-8-3-9-20-32/h1-11,13-16,19-22,25,30,35,37,42-43H,12,17-18,23-24,26-27,41H2,(H2,40,47)(H,44,46)(H,49,50)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078935
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53)
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7n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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7n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078929
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O
Show InChI InChI=1S/C39H44ClN6O6P/c40-30-18-19-35(47)33(22-30)44-24-36(48)45-37(20-27-12-5-2-6-13-27)53(51,52)25-28(15-9-14-26-10-3-1-4-11-26)39(50)46(42)34(38(41)49)21-29-23-43-32-17-8-7-16-31(29)32/h1-8,10-13,16-19,22-23,28,34,37,43-44,47H,9,14-15,20-21,24-25,42H2,(H2,41,49)(H,45,48)(H,51,52)
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7.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078954
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O6P/c1-23(36-33(40)43-21-25-13-6-3-7-14-25)44(41,42)22-26(16-10-15-24-11-4-2-5-12-24)32(39)37-30(31(34)38)19-27-20-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,20,23,26,30,35H,10,15-16,19,21-22H2,1H3,(H2,34,38)(H,36,40)(H,37,39)(H,41,42)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078933
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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8.80n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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9n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50078936
PNG
(CHEMBL87786 | {2-[(2-Amino-1-carbamoyl-ethyl)-(2,4...)
Show SMILES NCC(N(C(=O)C(CCc1ccccc1)C[P+](O)([O-])C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C36H39N6O10P/c37-22-32(34(38)43)40(30-19-18-29(41(46)47)21-31(30)42(48)49)35(44)28(17-16-25-10-4-1-5-11-25)24-53(50,51)33(20-26-12-6-2-7-13-26)39-36(45)52-23-27-14-8-3-9-15-27/h1-15,18-19,21,28,32-33H,16-17,20,22-24,37H2,(H2,38,43)(H,39,45)(H,50,51)
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9n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
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