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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50002297   
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
Neutrophil collagenase


(Homo sapiens (Human))		BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456787
PNG
(CHEMBL4215396)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1 |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-24-25-47-51(5,26-15-27-52(47,6)50(59)55-44(30-37-18-9-7-10-19-37)48(57)53-40-22-13-16-35(3)28-40)43(39)33-46(42)62(60,61)56-45(31-38-20-11-8-12-21-38)49(58)54-41-23-14-17-36(4)29-41/h7-14,16-23,28-29,32-34,44-45,47,56H,15,24-27,30-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47+,51+,52+/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456778
PNG
(CHEMBL4207542)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-22-27-47-51(5,28-13-29-52(47,6)50(59)55-44(30-37-14-9-7-10-15-37)48(57)53-40-23-18-35(3)19-24-40)43(39)33-46(42)62(60,61)56-45(31-38-16-11-8-12-17-38)49(58)54-41-25-20-36(4)21-26-41/h7-12,14-21,23-26,32-34,44-45,47,56H,13,22,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47+,51+,52+/m0/s1
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n/an/a 1.77E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456776
PNG
(CHEMBL4216154)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)40-32-39-26-27-47-51(5,28-17-29-52(47,6)50(59)55-44(30-37-20-9-7-10-21-37)48(57)53-42-24-15-13-18-35(42)3)41(39)33-46(40)62(60,61)56-45(31-38-22-11-8-12-23-38)49(58)54-43-25-16-14-19-36(43)4/h7-16,18-25,32-34,44-45,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47+,51+,52+/m0/s1
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n/an/a 2.43E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456775
PNG
(CHEMBL4216220)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C50H56N4O5S/c1-34(2)40-32-37-26-27-45-49(3,28-17-29-50(45,4)48(57)53-42(30-35-18-9-5-10-19-35)46(55)51-38-22-13-7-14-23-38)41(37)33-44(40)60(58,59)54-43(31-36-20-11-6-12-21-36)47(56)52-39-24-15-8-16-25-39/h5-16,18-25,32-34,42-43,45,54H,17,26-31H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)/t42-,43-,45+,49+,50+/m0/s1
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n/an/a 2.82E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456791
PNG
(CHEMBL4202778)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)40-32-39-26-27-47-51(5,28-17-29-52(47,6)50(59)55-44(30-37-20-9-7-10-21-37)48(57)53-42-24-15-13-18-35(42)3)41(39)33-46(40)62(60,61)56-45(31-38-22-11-8-12-23-38)49(58)54-43-25-16-14-19-36(43)4/h7-16,18-25,32-34,44-45,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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n/an/a 3.34E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456796
PNG
(CHEMBL4210262)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1)S(O)(=O)=O |r|
Show InChI InChI=1S/C36H44N2O6S/c1-23(2)28-21-25-12-17-32-35(3,29(25)22-31(28)45(41,42)43)18-9-19-36(32,4)34(40)38-30(20-24-10-7-6-8-11-24)33(39)37-26-13-15-27(44-5)16-14-26/h6-8,10-11,13-16,21-23,30,32H,9,12,17-20H2,1-5H3,(H,37,39)(H,38,40)(H,41,42,43)/t30-,32+,35+,36+/m0/s1
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n/an/a 3.94E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456786
PNG
(CHEMBL4213804)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1 |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-24-25-47-51(5,26-15-27-52(47,6)50(59)55-44(30-37-18-9-7-10-19-37)48(57)53-40-22-13-16-35(3)28-40)43(39)33-46(42)62(60,61)56-45(31-38-20-11-8-12-21-38)49(58)54-41-23-14-17-36(4)29-41/h7-14,16-23,28-29,32-34,44-45,47,56H,15,24-27,30-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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n/an/a 4.04E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456789
PNG
(CHEMBL4203206)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F |r|
Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45+,49+,50+/m0/s1
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n/an/a 4.15E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456790
PNG
(CHEMBL4214436)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OC)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OC |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)38-32-37-26-27-47-51(3,28-17-29-52(47,4)50(59)55-42(30-35-18-9-7-10-19-35)48(57)53-40-22-13-15-24-44(40)62-5)39(37)33-46(38)64(60,61)56-43(31-36-20-11-8-12-21-36)49(58)54-41-23-14-16-25-45(41)63-6/h7-16,18-25,32-34,42-43,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,47+,51+,52+/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456795
PNG
(CHEMBL4215930)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 |r|
Show InChI InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-22-27-47-51(5,28-13-29-52(47,6)50(59)55-44(30-37-14-9-7-10-15-37)48(57)53-40-23-18-35(3)19-24-40)43(39)33-46(42)62(60,61)56-45(31-38-16-11-8-12-17-38)49(58)54-41-25-20-36(4)21-26-41/h7-12,14-21,23-26,32-34,44-45,47,56H,13,22,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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n/an/a 4.67E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456781
PNG
(CHEMBL4210975)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-32-37-18-27-47-51(3,28-13-29-52(47,4)50(59)55-44(30-35-14-9-7-10-15-35)48(57)53-38-19-23-40(62-5)24-20-38)43(37)33-46(42)64(60,61)56-45(31-36-16-11-8-12-17-36)49(58)54-39-21-25-41(63-6)26-22-39/h7-12,14-17,19-26,32-34,44-45,47,56H,13,18,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47+,51+,52+/m0/s1
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n/an/a 5.21E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456777
PNG
(CHEMBL4206886)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C50H56N4O5S/c1-34(2)40-32-37-26-27-45-49(3,28-17-29-50(45,4)48(57)53-42(30-35-18-9-5-10-19-35)46(55)51-38-22-13-7-14-23-38)41(37)33-44(40)60(58,59)54-43(31-36-20-11-6-12-21-36)47(56)52-39-24-15-8-16-25-39/h5-16,18-25,32-34,42-43,45,54H,17,26-31H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)/t42-,43-,45-,49-,50-/m1/s1
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n/an/a 5.25E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456798
PNG
(CHEMBL4211708)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1OC)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1OC |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)38-32-37-26-27-47-51(3,28-17-29-52(47,4)50(59)55-42(30-35-18-9-7-10-19-35)48(57)53-40-22-13-15-24-44(40)62-5)39(37)33-46(38)64(60,61)56-43(31-36-20-11-8-12-21-36)49(58)54-41-23-14-16-25-45(41)63-6/h7-16,18-25,32-34,42-43,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,47-,51-,52-/m1/s1
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n/an/a 5.25E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456797
PNG
(CHEMBL4218730)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OC)c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OC)c1 |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-30-37-24-25-47-51(3,26-15-27-52(47,4)50(59)55-44(28-35-16-9-7-10-17-35)48(57)53-38-20-13-22-40(31-38)62-5)43(37)33-46(42)64(60,61)56-45(29-36-18-11-8-12-19-36)49(58)54-39-21-14-23-41(32-39)63-6/h7-14,16-23,30-34,44-45,47,56H,15,24-29H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47+,51+,52+/m0/s1
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n/an/a 5.51E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456771
PNG
(CHEMBL4203717)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-32-37-18-27-47-51(3,28-13-29-52(47,4)50(59)55-44(30-35-14-9-7-10-15-35)48(57)53-38-19-23-40(62-5)24-20-38)43(37)33-46(42)64(60,61)56-45(31-36-16-11-8-12-17-36)49(58)54-39-21-25-41(63-6)26-22-39/h7-12,14-17,19-26,32-34,44-45,47,56H,13,18,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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n/an/a 5.61E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456788
PNG
(CHEMBL4212449)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F |r|
Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)36-30-35-24-25-45-49(3,26-15-27-50(45,4)48(59)55-42(28-33-16-7-5-8-17-33)46(57)53-40-22-13-11-20-38(40)51)37(35)31-44(36)62(60,61)56-43(29-34-18-9-6-10-19-34)47(58)54-41-23-14-12-21-39(41)52/h5-14,16-23,30-32,42-43,45,56H,15,24-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/m1/s1
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n/an/a 6.45E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456773
PNG
(CHEMBL4211258)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(OC)c1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(OC)c1 |r|
Show InChI InChI=1S/C52H60N4O7S/c1-34(2)42-30-37-24-25-47-51(3,26-15-27-52(47,4)50(59)55-44(28-35-16-9-7-10-17-35)48(57)53-38-20-13-22-40(31-38)62-5)43(37)33-46(42)64(60,61)56-45(29-36-18-11-8-12-19-36)49(58)54-39-21-14-23-41(32-39)63-6/h7-14,16-23,30-34,44-45,47,56H,15,24-29H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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n/an/a 7.65E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456774
PNG
(CHEMBL4211189)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H41FN2O5S/c1-22(2)27-19-24-14-15-31-34(3,28(24)21-30(27)44(41,42)43)16-9-17-35(31,4)33(40)38-29(18-23-10-6-5-7-11-23)32(39)37-26-13-8-12-25(36)20-26/h5-8,10-13,19-22,29,31H,9,14-18H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31+,34+,35+/m0/s1
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n/an/a 7.74E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456792
PNG
(CHEMBL4202989)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Br)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H41BrN2O5S/c1-22(2)25-20-24-15-16-31-34(3,26(24)21-30(25)44(41,42)43)17-10-18-35(31,4)33(40)38-29(19-23-11-6-5-7-12-23)32(39)37-28-14-9-8-13-27(28)36/h5-9,11-14,20-22,29,31H,10,15-19H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31+,34+,35+/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456785
PNG
(CHEMBL4211771)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1 |r|
Show InChI InChI=1S/C50H54Br2N4O5S/c1-32(2)40-28-35-22-23-45-49(3,24-13-25-50(45,4)48(59)55-42(26-33-14-7-5-8-15-33)46(57)53-38-20-11-18-36(51)29-38)41(35)31-44(40)62(60,61)56-43(27-34-16-9-6-10-17-34)47(58)54-39-21-12-19-37(52)30-39/h5-12,14-21,28-32,42-43,45,56H,13,22-27H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45+,49+,50+/m0/s1
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n/an/a 8.75E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456784
PNG
(CHEMBL4206821)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H42N2O5S/c1-23(2)27-21-25-16-17-31-34(3,28(25)22-30(27)43(40,41)42)18-11-19-35(31,4)33(39)37-29(20-24-12-7-5-8-13-24)32(38)36-26-14-9-6-10-15-26/h5-10,12-15,21-23,29,31H,11,16-20H2,1-4H3,(H,36,38)(H,37,39)(H,40,41,42)/t29-,31-,34-,35-/m1/s1
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n/an/a 8.93E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456782
PNG
(CHEMBL4211700)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1OC)S(O)(=O)=O |r|
Show InChI InChI=1S/C36H44N2O6S/c1-23(2)26-21-25-16-17-32-35(3,27(25)22-31(26)45(41,42)43)18-11-19-36(32,4)34(40)38-29(20-24-12-7-6-8-13-24)33(39)37-28-14-9-10-15-30(28)44-5/h6-10,12-15,21-23,29,32H,11,16-20H2,1-5H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,32-,35-,36-/m1/s1
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n/an/a 9.02E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456794
PNG
(CHEMBL4203061)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)40-30-35-16-25-45-49(3,26-11-27-50(45,4)48(59)55-42(28-33-12-7-5-8-13-33)46(57)53-38-21-17-36(51)18-22-38)41(35)31-44(40)62(60,61)56-43(29-34-14-9-6-10-15-34)47(58)54-39-23-19-37(52)20-24-39/h5-10,12-15,17-24,30-32,42-43,45,56H,11,16,25-29H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/m1/s1
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n/an/a 9.21E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456793
PNG
(CHEMBL4214656)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1Br)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H41BrN2O5S/c1-22(2)25-20-24-15-16-31-34(3,26(24)21-30(25)44(41,42)43)17-10-18-35(31,4)33(40)38-29(19-23-11-6-5-7-12-23)32(39)37-28-14-9-8-13-27(28)36/h5-9,11-14,20-22,29,31H,10,15-19H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31-,34-,35-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456783
PNG
(CHEMBL4214716)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C50H52Cl2F2N4O5S/c1-30(2)36-26-33-16-21-45-49(3,22-11-23-50(45,4)48(61)57-42(24-31-12-7-5-8-13-31)46(59)55-34-17-19-40(53)38(51)27-34)37(33)29-44(36)64(62,63)58-43(25-32-14-9-6-10-15-32)47(60)56-35-18-20-41(54)39(52)28-35/h5-10,12-15,17-20,26-30,42-43,45,58H,11,16,21-25H2,1-4H3,(H,55,59)(H,56,60)(H,57,61)/t42-,43-,45-,49-,50-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456800
PNG
(CHEMBL4202528)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1 |r|
Show InChI InChI=1S/C50H54Br2N4O5S/c1-32(2)40-28-35-22-23-45-49(3,24-13-25-50(45,4)48(59)55-42(26-33-14-7-5-8-15-33)46(57)53-38-20-11-18-36(51)29-38)41(35)31-44(40)62(60,61)56-43(27-34-16-9-6-10-17-34)47(58)54-39-21-12-19-37(52)30-39/h5-12,14-21,28-32,42-43,45,56H,13,22-27H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456780
PNG
(CHEMBL4207416)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 |r|
Show InChI InChI=1S/C50H54F2N4O5S/c1-32(2)40-28-35-22-23-45-49(3,24-13-25-50(45,4)48(59)55-42(26-33-14-7-5-8-15-33)46(57)53-38-20-11-18-36(51)29-38)41(35)31-44(40)62(60,61)56-43(27-34-16-9-6-10-17-34)47(58)54-39-21-12-19-37(52)30-39/h5-12,14-21,28-32,42-43,45,56H,13,22-27H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,45-,49-,50-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456799
PNG
(CHEMBL4215193)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H41FN2O5S/c1-22(2)25-20-24-15-16-31-34(3,26(24)21-30(25)44(41,42)43)17-10-18-35(31,4)33(40)38-29(19-23-11-6-5-7-12-23)32(39)37-28-14-9-8-13-27(28)36/h5-9,11-14,20-22,29,31H,10,15-19H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31+,34+,35+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456772
PNG
(CHEMBL4202455)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)S(O)(=O)=O |r|
Show InChI InChI=1S/C35H41FN2O5S/c1-22(2)25-20-24-15-16-31-34(3,26(24)21-30(25)44(41,42)43)17-10-18-35(31,4)33(40)38-29(19-23-11-6-5-7-12-23)32(39)37-28-14-9-8-13-27(28)36/h5-9,11-14,20-22,29,31H,10,15-19H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31-,34-,35-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50456779
PNG
(CHEMBL4207344)
Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OC)S(O)(=O)=O |r|
Show InChI InChI=1S/C36H44N2O6S/c1-23(2)26-21-25-16-17-32-35(3,27(25)22-31(26)45(41,42)43)18-11-19-36(32,4)34(40)38-29(20-24-12-7-6-8-13-24)33(39)37-28-14-9-10-15-30(28)44-5/h6-10,12-15,21-23,29,32H,11,16-20H2,1-5H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,32+,35+,36+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...

Eur J Med Chem 138: 979-992 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.020
BindingDB Entry DOI: 10.7270/Q2R49TBN
More data for this
Ligand-Target Pair