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PubMed code 11229774

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063910
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C20H31N3O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(24)23-27)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17,27H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097273
PNG
((R)-N*1*-((S)-2,2-dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C27H37N3O4/c1-18-16-19(14-15-22(18)20-11-7-6-8-12-20)10-9-13-21(17-23(31)30-34)25(32)29-24(26(33)28-5)27(2,3)4/h6-8,11-12,14-16,21,24,34H,9-10,13,17H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t21-,24-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097273
PNG
((R)-N*1*-((S)-2,2-dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C27H37N3O4/c1-18-16-19(14-15-22(18)20-11-7-6-8-12-20)10-9-13-21(17-23(31)30-34)25(32)29-24(26(33)28-5)27(2,3)4/h6-8,11-12,14-16,21,24,34H,9-10,13,17H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t21-,24-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097270
PNG
((R)-2-(3-Biphenyl-4-yl-propyl)-N*1*-[(S)-2,2-dimet...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(cc1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H41N3O4/c1-23(25-13-7-5-8-14-25)34-32(39)30(33(2,3)4)35-31(38)28(22-29(37)36-40)17-11-12-24-18-20-27(21-19-24)26-15-9-6-10-16-26/h5-10,13-16,18-21,23,28,30,40H,11-12,17,22H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)/t23-,28-,30-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097261
PNG
((R)-2-(3-(9H-fluoren-2-yl)propyl)-N1-((S)-3,3-dime...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc-2c(Cc3ccccc-23)c1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H41N3O4/c1-22(24-12-6-5-7-13-24)35-33(40)31(34(2,3)4)36-32(39)26(21-30(38)37-41)15-10-11-23-17-18-29-27(19-23)20-25-14-8-9-16-28(25)29/h5-9,12-14,16-19,22,26,31,41H,10-11,15,20-21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,31-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097263
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097272
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(F)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H40FN3O4/c1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)26(21-29(38)37-41)17-11-12-23-18-19-27(28(34)20-23)25-15-9-6-10-16-25/h5-10,13-16,18-20,22,26,30,41H,11-12,17,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,30-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097268
PNG
((R)-N*1*-[(S)-1-(Benzhydryl-carbamoyl)-2,2-dimethy...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(cc1)-c1ccccc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N3O4/c1-38(2,3)35(37(44)39-34(30-17-9-5-10-18-30)31-19-11-6-12-20-31)40-36(43)32(26-33(42)41-45)21-13-14-27-22-24-29(25-23-27)28-15-7-4-8-16-28/h4-12,15-20,22-25,32,34-35,45H,13-14,21,26H2,1-3H3,(H,39,44)(H,40,43)(H,41,42)/t32-,35-/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097267
PNG
((R)-N*1*-[(S)-1-(benzhydryl-carbamoyl)-2,2-dimethy...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(c(F)c1)-c1ccccc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H42FN3O4/c1-38(2,3)35(37(45)40-34(28-17-9-5-10-18-28)29-19-11-6-12-20-29)41-36(44)30(25-33(43)42-46)21-13-14-26-22-23-31(32(39)24-26)27-15-7-4-8-16-27/h4-12,15-20,22-24,30,34-35,46H,13-14,21,25H2,1-3H3,(H,40,45)(H,41,44)(H,42,43)/t30-,35-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097261
PNG
((R)-2-(3-(9H-fluoren-2-yl)propyl)-N1-((S)-3,3-dime...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc-2c(Cc3ccccc-23)c1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H41N3O4/c1-22(24-12-6-5-7-13-24)35-33(40)31(34(2,3)4)36-32(39)26(21-30(38)37-41)15-10-11-23-17-18-29-27(19-23)20-25-14-8-9-16-28(25)29/h5-9,12-14,16-19,22,26,31,41H,10-11,15,20-21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,31-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097271
PNG
((R)-2-[3-(2-chloro-biphenyl-4-yl)-propyl]-N*1*-[(S...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(Cl)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H40ClN3O4/c1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)26(21-29(38)37-41)17-11-12-23-18-19-27(28(34)20-23)25-15-9-6-10-16-25/h5-10,13-16,18-20,22,26,30,41H,11-12,17,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,30-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097262
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C27H45N3O4/c1-6-7-8-9-10-11-13-18-22(19-23(31)30-34)25(32)29-24(27(3,4)5)26(33)28-20(2)21-16-14-12-15-17-21/h12,14-17,20,22,24,34H,6-11,13,18-19H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t20-,22-,24-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097265
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C32H38FN3O4/c1-21(23-8-6-5-7-9-23)34-31(39)29(32(2,3)4)35-30(38)26(20-28(37)36-40)15-12-22-10-13-24(14-11-22)25-16-18-27(33)19-17-25/h5-11,13-14,16-19,21,26,29,40H,12,15,20H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)/t21-,26-,29-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097270
PNG
((R)-2-(3-Biphenyl-4-yl-propyl)-N*1*-[(S)-2,2-dimet...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(cc1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H41N3O4/c1-23(25-13-7-5-8-14-25)34-32(39)30(33(2,3)4)35-31(38)28(22-29(37)36-40)17-11-12-24-18-20-27(21-19-24)26-15-9-6-10-16-26/h5-10,13-16,18-21,23,28,30,40H,11-12,17,22H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)/t23-,28-,30-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097252
PNG
((R)-N'-((S)-3,3-dimethyl-1-oxo-1-((R)-1-phenylethy...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H37N3O4/c1-19(21-15-9-6-10-16-21)28-26(33)24(27(2,3)4)29-25(32)22(18-23(31)30-34)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,19,22,24,34H,11,14,17-18H2,1-4H3,(H,28,33)(H,29,32)(H,30,31)/t19-,22-,24-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097260
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C27H34F3N3O4/c1-26(2,3)23(25(36)31-4)32-24(35)19(16-22(34)33-37)12-8-9-17-13-14-20(18-10-6-5-7-11-18)21(15-17)27(28,29)30/h5-7,10-11,13-15,19,23,37H,8-9,12,16H2,1-4H3,(H,31,36)(H,32,35)(H,33,34)/t19-,23-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097267
PNG
((R)-N*1*-[(S)-1-(benzhydryl-carbamoyl)-2,2-dimethy...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(c(F)c1)-c1ccccc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H42FN3O4/c1-38(2,3)35(37(45)40-34(28-17-9-5-10-18-28)29-19-11-6-12-20-29)41-36(44)30(25-33(43)42-46)21-13-14-26-22-23-31(32(39)24-26)27-15-7-4-8-16-27/h4-12,15-20,22-24,30,34-35,46H,13-14,21,25H2,1-3H3,(H,40,45)(H,41,44)(H,42,43)/t30-,35-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50063910
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C20H31N3O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(24)23-27)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17,27H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097239
PNG
((R)-N*1*-[(S)-1-(Benzhydryl-carbamoyl)-2,2-dimethy...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39N3O4/c1-32(2,3)29(31(38)33-28(24-17-9-5-10-18-24)25-19-11-6-12-20-25)34-30(37)26(22-27(36)35-39)21-13-16-23-14-7-4-8-15-23/h4-12,14-15,17-20,26,28-29,39H,13,16,21-22H2,1-3H3,(H,33,38)(H,34,37)(H,35,36)/t26-,29-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097252
PNG
((R)-N'-((S)-3,3-dimethyl-1-oxo-1-((R)-1-phenylethy...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H37N3O4/c1-19(21-15-9-6-10-16-21)28-26(33)24(27(2,3)4)29-25(32)22(18-23(31)30-34)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,19,22,24,34H,11,14,17-18H2,1-4H3,(H,28,33)(H,29,32)(H,30,31)/t19-,22-,24-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50097263
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097260
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C27H34F3N3O4/c1-26(2,3)23(25(36)31-4)32-24(35)19(16-22(34)33-37)12-8-9-17-13-14-20(18-10-6-5-7-11-18)21(15-17)27(28,29)30/h5-7,10-11,13-15,19,23,37H,8-9,12,16H2,1-4H3,(H,31,36)(H,32,35)(H,33,34)/t19-,23-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097262
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C27H45N3O4/c1-6-7-8-9-10-11-13-18-22(19-23(31)30-34)25(32)29-24(27(3,4)5)26(33)28-20(2)21-16-14-12-15-17-21/h12,14-17,20,22,24,34H,6-11,13,18-19H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t20-,22-,24-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097266
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES COc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1
Show InChI InChI=1S/C34H43N3O5/c1-23(25-14-8-6-9-15-25)35-33(40)31(34(2,3)4)36-32(39)27(22-30(38)37-41)18-12-13-24-19-20-28(29(21-24)42-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,23,27,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t23-,27-,31-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097259
PNG
((R)-2-(3-Cyclohexyl-propyl)-N*1*-[(S)-2,2-dimethyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC1CCCCC1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H43N3O4/c1-19(21-15-9-6-10-16-21)28-26(33)24(27(2,3)4)29-25(32)22(18-23(31)30-34)17-11-14-20-12-7-5-8-13-20/h6,9-10,15-16,19-20,22,24,34H,5,7-8,11-14,17-18H2,1-4H3,(H,28,33)(H,29,32)(H,30,31)/t19-,22-,24-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097265
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C32H38FN3O4/c1-21(23-8-6-5-7-9-23)34-31(39)29(32(2,3)4)35-30(38)26(20-28(37)36-40)15-12-22-10-13-24(14-11-22)25-16-18-27(33)19-17-25/h5-11,13-14,16-19,21,26,29,40H,12,15,20H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)/t21-,26-,29-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097268
PNG
((R)-N*1*-[(S)-1-(Benzhydryl-carbamoyl)-2,2-dimethy...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(cc1)-c1ccccc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N3O4/c1-38(2,3)35(37(44)39-34(30-17-9-5-10-18-30)31-19-11-6-12-20-31)40-36(43)32(26-33(42)41-45)21-13-14-27-22-24-29(25-23-27)28-15-7-4-8-16-28/h4-12,15-20,22-25,32,34-35,45H,13-14,21,26H2,1-3H3,(H,39,44)(H,40,43)(H,41,42)/t32-,35-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097272
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(F)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H40FN3O4/c1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)26(21-29(38)37-41)17-11-12-23-18-19-27(28(34)20-23)25-15-9-6-10-16-25/h5-10,13-16,18-20,22,26,30,41H,11-12,17,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,30-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097239
PNG
((R)-N*1*-[(S)-1-(Benzhydryl-carbamoyl)-2,2-dimethy...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39N3O4/c1-32(2,3)29(31(38)33-28(24-17-9-5-10-18-24)25-19-11-6-12-20-25)34-30(37)26(22-27(36)35-39)21-13-16-23-14-7-4-8-15-23/h4-12,14-15,17-20,26,28-29,39H,13,16,21-22H2,1-3H3,(H,33,38)(H,34,37)(H,35,36)/t26-,29-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097264
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES CCc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1
Show InChI InChI=1S/C35H45N3O4/c1-6-26-22-25(20-21-30(26)28-17-11-8-12-18-28)14-13-19-29(23-31(39)38-42)33(40)37-32(35(3,4)5)34(41)36-24(2)27-15-9-7-10-16-27/h7-12,15-18,20-22,24,29,32,42H,6,13-14,19,23H2,1-5H3,(H,36,41)(H,37,40)(H,38,39)/t24-,29-,32-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097269
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H40F3N3O4/c1-22(24-13-7-5-8-14-24)38-32(43)30(33(2,3)4)39-31(42)26(21-29(41)40-44)17-11-12-23-18-19-27(25-15-9-6-10-16-25)28(20-23)34(35,36)37/h5-10,13-16,18-20,22,26,30,44H,11-12,17,21H2,1-4H3,(H,38,43)(H,39,42)(H,40,41)/t22-,26-,30-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50097263
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097259
PNG
((R)-2-(3-Cyclohexyl-propyl)-N*1*-[(S)-2,2-dimethyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC1CCCCC1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H43N3O4/c1-19(21-15-9-6-10-16-21)28-26(33)24(27(2,3)4)29-25(32)22(18-23(31)30-34)17-11-14-20-12-7-5-8-13-20/h6,9-10,15-16,19-20,22,24,34H,5,7-8,11-14,17-18H2,1-4H3,(H,28,33)(H,29,32)(H,30,31)/t19-,22-,24-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097271
PNG
((R)-2-[3-(2-chloro-biphenyl-4-yl)-propyl]-N*1*-[(S...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(Cl)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H40ClN3O4/c1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)26(21-29(38)37-41)17-11-12-23-18-19-27(28(34)20-23)25-15-9-6-10-16-25/h5-10,13-16,18-20,22,26,30,41H,11-12,17,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,30-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097266
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES COc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1
Show InChI InChI=1S/C34H43N3O5/c1-23(25-14-8-6-9-15-25)35-33(40)31(34(2,3)4)36-32(39)27(22-30(38)37-41)18-12-13-24-19-20-28(29(21-24)42-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,23,27,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t23-,27-,31-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097263
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50097263
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-14


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097264
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES CCc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1
Show InChI InChI=1S/C35H45N3O4/c1-6-26-22-25(20-21-30(26)28-17-11-8-12-18-28)14-13-19-29(23-31(39)38-42)33(40)37-32(35(3,4)5)34(41)36-24(2)27-15-9-7-10-16-27/h7-12,15-18,20-22,24,29,32,42H,6,13-14,19,23H2,1-5H3,(H,36,41)(H,37,40)(H,38,39)/t24-,29-,32-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50097263
PNG
((R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097269
PNG
((R)-N*1*-[(S)-2,2-dimethyl-1-((R)-1-phenyl-ethylca...)
Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H40F3N3O4/c1-22(24-13-7-5-8-14-24)38-32(43)30(33(2,3)4)39-31(42)26(21-29(41)40-44)17-11-12-23-18-19-27(25-15-9-6-10-16-25)28(20-23)34(35,36)37/h5-10,13-16,18-20,22,26,30,44H,11-12,17,21H2,1-4H3,(H,38,43)(H,39,42)(H,40,41)/t22-,26-,30-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.


Bioorg Med Chem Lett 11: 571-4 (2001)


BindingDB Entry DOI: 10.7270/Q22B8X9X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%