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Compile Data Set for Download or QSAR

Found 643 hits of ic50 data for polymerid = 6145   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360965
PNG
(CHEMBL1935286)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc(Cl)o1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO6S/c1-11(2)20(21(24)25)23-30(26,27)13-4-5-14-15-9-12(16-7-8-19(22)29-16)3-6-17(15)28-18(14)10-13/h3-11,20,23H,1-2H3,(H,24,25)/t20-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360964
PNG
(CHEMBL1935285)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc(C)o1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO6S/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(18-8-4-13(3)28-18)5-9-19(17)29-20(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry

J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360967
PNG
(CHEMBL1935288)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc(C)s1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO5S2/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(20-9-4-13(3)29-20)5-8-18(17)28-19(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360966
PNG
(CHEMBL1935287)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1cccs1)C(O)=O |r|
Show InChI InChI=1S/C21H19NO5S2/c1-12(2)20(21(23)24)22-29(25,26)14-6-7-15-16-10-13(19-4-3-9-28-19)5-8-17(16)27-18(15)11-14/h3-12,20,22H,1-2H3,(H,23,24)/t20-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry

J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-12

Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360956
PNG
(CHEMBL1935304)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C1CCOC1)C(O)=O |r|
Show InChI InChI=1S/C23H23N3O7S/c1-12(2)20(23(27)28)26-34(29,30)15-4-5-16-17-9-13(3-6-18(17)32-19(16)10-15)21-24-22(33-25-21)14-7-8-31-11-14/h3-6,9-10,12,14,20,26H,7-8,11H2,1-2H3,(H,27,28)/t14?,20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360963
PNG
(CHEMBL1935284)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccoc1)C(O)=O |r|
Show InChI InChI=1S/C21H19NO6S/c1-12(2)20(21(23)24)22-29(25,26)15-4-5-16-17-9-13(14-7-8-27-11-14)3-6-18(17)28-19(16)10-15/h3-12,20,22H,1-2H3,(H,23,24)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50295489
PNG
((S)-2-(8-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2sc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1
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n/an/a 0.400n/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
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360968
PNG
(CHEMBL1935290)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ccc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C21H20N2O5S/c1-12(2)20(21(24)25)23-29(26,27)14-6-7-15-16-10-13(17-4-3-9-22-17)5-8-18(16)28-19(15)11-14/h3-12,20,22-23H,1-2H3,(H,24,25)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360959
PNG
(CHEMBL1935280)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-n1ccc(n1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C21H18F3N3O5S/c1-11(2)19(20(28)29)26-33(30,31)13-4-5-14-15-9-12(3-6-16(15)32-17(14)10-13)27-8-7-18(25-27)21(22,23)24/h3-11,19,26H,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.850n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 1 hr preincubation by fluorometry

J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.890n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 30 mins preincubation by fluorometry

J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM28480
PNG
((2S)-3-methyl-2-({12-[(thiophen-3-ylcarbamoyl)amin...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Nc3ccsc3)cc21)C(O)=O |r|
Show InChI InChI=1S/C22H21N3O6S2/c1-12(2)20(21(26)27)25-33(29,30)15-4-5-16-17-9-13(3-6-18(17)31-19(16)10-15)23-22(28)24-14-7-8-32-11-14/h3-12,20,25H,1-2H3,(H,26,27)(H2,23,24,28)/t20-/m0/s1
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n/an/a 0.900n/an/an/an/a7.522



Wyeth Research



Assay Description
The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...

J Med Chem 52: 1799-802 (2009)


Article DOI: 10.1021/jm900093d
BindingDB Entry DOI: 10.7270/Q2X928NP
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50428828
PNG
(CHEMBL2337131)
Show SMILES ONC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H18Cl2N2O5S/c23-15-6-9-19(24)20(13-15)32(29,30)26-11-10-14-12-17(31-16-4-2-1-3-5-16)7-8-18(14)21(26)22(27)25-28/h1-9,12-13,21,28H,10-11H2,(H,25,27)
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n/an/a 0.930n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)

Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 12

Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605508
PNG
(US11673884, Compound AC-2)
Show SMILES Cc1cc(\C=C\c2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50026624
PNG
(CHEMBL1935289)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1cc[nH]n1)C(O)=O |r|
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n/an/a<1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O |r|
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic thymidine kinase

J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605519
PNG
(US11673884, Compound AC-12)
Show SMILES Cc1cc(\C=C\c2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)ccn1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605518
PNG
(US11673884, Compound AC-11)
Show SMILES Cc1cc(ccn1)C#Cc1ccc(Sc2cnn(C)c2C2NC(=O)NC2=O)cc1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605517
PNG
(US11673884, Compound AC-10)
Show SMILES Cc1cc(\C=C\c2ccc(Sc3ccsc3C3NC(=O)NC3=O)cc2)ccn1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605516
PNG
(US11673884, Compound AC-9)
Show SMILES Cc1cc(ccn1)C#Cc1ccc(Sc2ccsc2C2NC(=O)NC2=O)cc1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605515
PNG
(US11673884, Compound AC-8)
Show SMILES CCC1(NC(=O)NC1=O)c1cnccc1Sc1ccc(\C=C\c2ccnc(C)c2)cc1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605513
PNG
(US11673884, Compound AC-6)
Show SMILES Cc1cc(\C=C\c2ccc(Oc3ccncc3C3NC(=O)NC3=O)cc2)ccn1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605512
PNG
(US11673884, Compound AC-5)
Show SMILES Cc1cc(\C=C\c2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)ccn1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM605509
PNG
(US11673884, Compound AC-3)
Show SMILES CCC1(NC(=O)NC1=O)c1occc1Sc1ccc(\C=C\c2ccnc(C)c2)cc1
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n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD15MN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)

J Med Chem 51: 3449-59 (2008)


Article DOI: 10.1021/jm8000289
BindingDB Entry DOI: 10.7270/Q2H99519
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM28481
PNG
((2S)-3-methyl-2-{[12-({[2-(thiophen-2-yl)ethyl]car...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc21)C(O)=O |r|
Show InChI InChI=1S/C24H25N3O6S2/c1-14(2)22(23(28)29)27-35(31,32)17-6-7-18-19-12-15(5-8-20(19)33-21(18)13-17)26-24(30)25-10-9-16-4-3-11-34-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1
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n/an/a 1.10n/an/an/an/a7.522



Wyeth Research



Assay Description
The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...

J Med Chem 52: 1799-802 (2009)


Article DOI: 10.1021/jm900093d
BindingDB Entry DOI: 10.7270/Q2X928NP
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360970
PNG
(CHEMBL1935292)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1ncc(C)s1)C(O)=O |r|
Show InChI InChI=1S/C21H20N2O5S2/c1-11(2)19(21(24)25)23-30(26,27)14-5-6-15-16-8-13(20-22-10-12(3)29-20)4-7-17(16)28-18(15)9-14/h4-11,19,23H,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50592903
PNG
(CHEMBL5199189)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
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n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI: 10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50606384
PNG
(CHEMBL5183245)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50295479
PNG
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r|
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 1.40n/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
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM92442
PNG
(MMP Inhibitor, 2)
Show SMILES CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)
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n/an/a 1.40n/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.

J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360952
PNG
(CHEMBL1935300)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1noc(n1)C1CC1)C(O)=O |r|
Show InChI InChI=1S/C22H21N3O6S/c1-11(2)19(22(26)27)25-32(28,29)14-6-7-15-16-9-13(5-8-17(16)30-18(15)10-14)20-23-21(31-24-20)12-3-4-12/h5-12,19,25H,3-4H2,1-2H3,(H,26,27)/t19-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50129986
PNG
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-12

Bioorg Med Chem Lett 13: 2331-6 (2003)


BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50129986
PNG
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP12

Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50295488
PNG
((R)-2-(8-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2sc3cc(ccc3c2c1)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m1/s1
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n/an/a 1.80n/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
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50203961
PNG
(CHEMBL3958969)
Show SMILES ONC(=O)C1CCCCN1S(=O)(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H29N5O7S/c31-23-19-9-1-2-10-20(19)27-22(28-23)25(33)26-16-17-7-5-8-18(15-17)37-13-6-14-38(35,36)30-12-4-3-11-21(30)24(32)29-34/h1-2,5,7-10,15,21,34H,3-4,6,11-14,16H2,(H,26,33)(H,29,32)(H,27,28,31)
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP12 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method

Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50606383
PNG
(CHEMBL5209489)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50360950
PNG
(CHEMBL1935298)
Show SMILES COCc1nc(no1)-c1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O7S/c1-11(2)19(21(25)26)24-32(27,28)13-5-6-14-15-8-12(4-7-16(15)30-17(14)9-13)20-22-18(10-29-3)31-23-20/h4-9,11,19,24H,10H2,1-3H3,(H,25,26)/t19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50295479
PNG
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r|
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-12

Bioorg Med Chem Lett 22: 138-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.046
BindingDB Entry DOI: 10.7270/Q2SJ1M20
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM28469
PNG
((2S)-2-({12-[(methoxycarbonyl)amino]-8-oxatricyclo...)
Show SMILES COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1
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n/an/a 2n/an/an/an/a7.522



Wyeth Research



Assay Description
The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...

J Med Chem 52: 1799-802 (2009)


Article DOI: 10.1021/jm900093d
BindingDB Entry DOI: 10.7270/Q2X928NP
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50437788
PNG
(CHEMBL2409699)
Show SMILES CCOc1ccc(OC2CCN(CC2)S(=O)(=O)C[C@@]2(C)NC(=O)NC2=O)cc1 |r|
Show InChI InChI=1S/C18H25N3O6S/c1-3-26-13-4-6-14(7-5-13)27-15-8-10-21(11-9-15)28(24,25)12-18(2)16(22)19-17(23)20-18/h4-7,15H,3,8-12H2,1-2H3,(H2,19,20,22,23)/t18-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MMP-12 (unknown origin) by fluorescence assay

Bioorg Med Chem Lett 23: 4705-12 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50035507
PNG
(CHEMBL3355722)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C23H37N5O5/c1-15(2)12-17(14-20(29)28-33)22(31)27-19(13-16-8-4-3-5-9-16)23(32)26-18(21(25)30)10-6-7-11-24/h3-5,8-9,15,17-19,33H,6-7,10-14,24H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t17-,18+,19+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University Medical Center Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 catalytic domain Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate

Bioorg Med Chem 23: 192-202 (2014)


Article DOI: 10.1016/j.bmc.2014.11.013
BindingDB Entry DOI: 10.7270/Q26Q1ZVW
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM28469
PNG
((2S)-2-({12-[(methoxycarbonyl)amino]-8-oxatricyclo...)
Show SMILES COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1
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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
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM28473
PNG
((2S)-2-[(12-{[(2-fluoroethoxy)carbonyl]amino}-8-ox...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)OCCF)cc21)C(O)=O |r|
Show InChI InChI=1S/C20H21FN2O7S/c1-11(2)18(19(24)25)23-31(27,28)13-4-5-14-15-9-12(22-20(26)29-8-7-21)3-6-16(15)30-17(14)10-13/h3-6,9-11,18,23H,7-8H2,1-2H3,(H,22,26)(H,24,25)/t18-/m0/s1
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n/an/a 2.10n/an/an/an/a7.522



Wyeth Research



Assay Description
The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...

J Med Chem 52: 1799-802 (2009)


Article DOI: 10.1021/jm900093d
BindingDB Entry DOI: 10.7270/Q2X928NP
More data for this
Ligand-Target Pair
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