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Compile Data Set for Download or QSAR

Found 3151 hits with Last Name = 'pierre' and Initial = 'f'   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062331
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062353
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(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
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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0.180n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062304
PNG
((R)-2-Hexyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C22H32N4O4/c1-3-4-5-6-9-15(13-20(27)26-30)21(28)25-19(22(29)23-2)12-16-14-24-18-11-8-7-10-17(16)18/h7-8,10-11,14-15,19,24,30H,3-6,9,12-13H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062304
PNG
((R)-2-Hexyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C22H32N4O4/c1-3-4-5-6-9-15(13-20(27)26-30)21(28)25-19(22(29)23-2)12-16-14-24-18-11-8-7-10-17(16)18/h7-8,10-11,14-15,19,24,30H,3-6,9,12-13H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062303
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-18(13-23(31)30-34)24(32)29-22(25(33)28-14-17-7-9-26-10-8-17)12-19-15-27-21-6-4-3-5-20(19)21/h3-10,15-16,18,22,27,34H,11-14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062311
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-(3-morphol...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C28H40N4O5/c1-20(2)17-23(19-26(33)31-36)27(34)30-25(18-22-9-5-8-21-7-3-4-10-24(21)22)28(35)29-11-6-12-32-13-15-37-16-14-32/h3-5,7-10,20,23,25,36H,6,11-19H2,1-2H3,(H,29,35)(H,30,34)(H,31,33)/t23-,25-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062345
PNG
((R)-2-Butyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H28N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h5-6,8-9,12-13,17,22,28H,3-4,7,10-11H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062297
PNG
((R)-N*4*-Hydroxy-N*1*-{(R)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C24H32N4O5/c1-16(2)13-19(15-22(30)28-33)23(31)27-21(14-18-7-10-25-11-8-18)24(32)26-12-9-17-3-5-20(29)6-4-17/h3-8,10-11,16,19,21,29,33H,9,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t19-,21-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062313
PNG
((R)-N*1*-[(S)-1-Cyclopropylcarbamoyl-2-(1H-indol-3...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1
Show InChI InChI=1S/C22H30N4O4/c1-13(2)9-14(11-20(27)26-30)21(28)25-19(22(29)24-16-7-8-16)10-15-12-23-18-6-4-3-5-17(15)18/h3-6,12-14,16,19,23,30H,7-11H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t14-,19+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062293
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062306
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C26H39N5O5/c1-18(2)14-19(16-24(32)30-35)25(33)29-23(15-20-17-28-22-7-4-3-6-21(20)22)26(34)27-8-5-9-31-10-12-36-13-11-31/h3-4,6-7,17-19,23,28,35H,5,8-16H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t19-,23+/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(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
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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0.390n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062338
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(1H-indol-3-y...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO
Show InChI InChI=1S/C20H28N4O5/c1-11(2)8-14(17(25)20(28)24-29)18(26)23-16(19(27)21-3)9-12-10-22-15-7-5-4-6-13(12)15/h4-7,10-11,14,16-17,22,25,29H,8-9H2,1-3H3,(H,21,27)(H,23,26)(H,24,28)/t14-,16+,17+/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062304
PNG
((R)-2-Hexyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C22H32N4O4/c1-3-4-5-6-9-15(13-20(27)26-30)21(28)25-19(22(29)23-2)12-16-14-24-18-11-8-7-10-17(16)18/h7-8,10-11,14-15,19,24,30H,3-6,9,12-13H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062342
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H29N3O4/c1-14(2)11-17(13-20(26)25-29)21(27)24-19(22(28)23-3)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,14,17,19,29H,11-13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062294
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-17(13-23(31)30-34)24(32)29-22(25(33)28-15-19-7-5-6-10-26-19)12-18-14-27-21-9-4-3-8-20(18)21/h3-10,14,16-17,22,27,34H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t17-,22+/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062293
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062350
PNG
((R)-N*1*-((R)-2-Benzo[b]thiophen-3-yl-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H27N3O4S/c1-12(2)8-13(10-18(24)23-27)19(25)22-16(20(26)21-3)9-14-11-28-17-7-5-4-6-15(14)17/h4-7,11-13,16,27H,8-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062350
PNG
((R)-N*1*-((R)-2-Benzo[b]thiophen-3-yl-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H27N3O4S/c1-12(2)8-13(10-18(24)23-27)19(25)22-16(20(26)21-3)9-14-11-28-17-7-5-4-6-15(14)17/h4-7,11-13,16,27H,8-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062324
PNG
((2R,3S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((R)-3-me...)
Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO
Show InChI InChI=1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062332
PNG
((R)-N*1*-[(S)-1-[(Furan-2-ylmethyl)-carbamoyl]-2-(...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C24H30N4O5/c1-15(2)10-16(12-22(29)28-32)23(30)27-21(24(31)26-14-18-6-5-9-33-18)11-17-13-25-20-8-4-3-7-19(17)20/h3-9,13,15-16,21,25,32H,10-12,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t16-,21+/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062310
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C26H33N5O4/c1-17(2)13-18(15-24(32)31-35)25(33)30-23(14-19-16-29-22-9-4-3-8-21(19)22)26(34)28-12-10-20-7-5-6-11-27-20/h3-9,11,16-18,23,29,35H,10,12-15H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,23+/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062331
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C27H34N4O5/c1-17(2)13-19(15-25(33)31-36)26(34)30-24(14-20-16-29-23-6-4-3-5-22(20)23)27(35)28-12-11-18-7-9-21(32)10-8-18/h3-10,16-17,19,24,29,32,36H,11-15H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24+/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062353
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062324
PNG
((2R,3S)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-((R)-3-me...)
Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO
Show InChI InChI=1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062330
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H28N4O4/c1-13(2)10-16(12-18(26)25-29)20(27)24-17(21(28)22-3)11-15-7-4-6-14-8-5-9-23-19(14)15/h4-9,13,16-17,29H,10-12H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,17-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062294
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-17(13-23(31)30-34)24(32)29-22(25(33)28-15-19-7-5-6-10-26-19)12-18-14-27-21-9-4-3-8-20(18)21/h3-10,14,16-17,22,27,34H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t17-,22+/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062345
PNG
((R)-2-Butyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H28N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h5-6,8-9,12-13,17,22,28H,3-4,7,10-11H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062302
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(t...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1
Show InChI InChI=1S/C23H29N5O4S/c1-14(2)9-15(11-20(29)28-32)22(30)27-19(23(31)26-13-21-24-7-8-33-21)10-16-12-25-18-6-4-3-5-17(16)18/h3-8,12,14-15,19,25,32H,9-11,13H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t15-,19+/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(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
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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0.570n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062345
PNG
((R)-2-Butyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H28N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h5-6,8-9,12-13,17,22,28H,3-4,7,10-11H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062311
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-(3-morphol...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C28H40N4O5/c1-20(2)17-23(19-26(33)31-36)27(34)30-25(18-22-9-5-8-21-7-3-4-10-24(21)22)28(35)29-11-6-12-32-13-15-37-16-14-32/h3-5,7-10,20,23,25,36H,6,11-19H2,1-2H3,(H,29,35)(H,30,34)(H,31,33)/t23-,25-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062311
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-(3-morphol...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C28H40N4O5/c1-20(2)17-23(19-26(33)31-36)27(34)30-25(18-22-9-5-8-21-7-3-4-10-24(21)22)28(35)29-11-6-12-32-13-15-37-16-14-32/h3-5,7-10,20,23,25,36H,6,11-19H2,1-2H3,(H,29,35)(H,30,34)(H,31,33)/t23-,25-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062308
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(3-imidazol-1-yl-prop...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C25H34N6O4/c1-17(2)12-18(14-23(32)30-35)24(33)29-22(13-19-15-28-21-7-4-3-6-20(19)21)25(34)27-8-5-10-31-11-9-26-16-31/h3-4,6-7,9,11,15-18,22,28,35H,5,8,10,12-14H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t18-,22+/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062303
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-18(13-23(31)30-34)24(32)29-22(25(33)28-14-17-7-9-26-10-8-17)12-19-15-27-21-6-4-3-5-20(19)21/h3-10,15-16,18,22,27,34H,11-14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062343
PNG
((R)-N*1*-((R)-1-Benzylcarbamoyl-2-pyridin-3-yl-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccnc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H30N4O4/c1-16(2)11-19(13-21(28)27-31)22(29)26-20(12-18-9-6-10-24-14-18)23(30)25-15-17-7-4-3-5-8-17/h3-10,14,16,19-20,31H,11-13,15H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t19-,20-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062318
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C24H36N4O4/c1-3-4-5-6-7-8-11-17(15-22(29)28-32)23(30)27-21(24(31)25-2)14-18-16-26-20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21,26,32H,3-8,11,14-15H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062342
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H29N3O4/c1-14(2)11-17(13-20(26)25-29)21(27)24-19(22(28)23-3)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,14,17,19,29H,11-13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t17-,19-/m1/s1
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0.640n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062341
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-((S...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C27H34N4O4/c1-17(2)13-20(15-25(32)31-35)26(33)30-24(14-21-16-28-23-12-8-7-11-22(21)23)27(34)29-18(3)19-9-5-4-6-10-19/h4-12,16-18,20,24,28,35H,13-15H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t18-,20+,24-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062327
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-3-methyl-1-m...)
Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C15H29N3O4/c1-9(2)6-11(8-13(19)18-22)14(20)17-12(7-10(3)4)15(21)16-5/h9-12,22H,6-8H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t11-,12-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062318
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C24H36N4O4/c1-3-4-5-6-7-8-11-17(15-22(29)28-32)23(30)27-21(24(31)25-2)14-18-16-26-20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21,26,32H,3-8,11,14-15H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1
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0.660n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062340
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-methylcarb...)
Show SMILES CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H30N4O4/c1-13(2)9-14(11-19(26)24-29)20(27)23-17(21(28)22-3)10-15-12-25(4)18-8-6-5-7-16(15)18/h5-8,12-14,17,29H,9-11H2,1-4H3,(H,22,28)(H,23,27)(H,24,26)/t14-,17+/m1/s1
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0.660n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062294
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-17(13-23(31)30-34)24(32)29-22(25(33)28-15-19-7-5-6-10-26-19)12-18-14-27-21-9-4-3-8-20(18)21/h3-10,14,16-17,22,27,34H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t17-,22+/m1/s1
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0.680n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062307
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H29N3O4/c1-14(2)10-18(13-20(26)25-29)21(27)24-19(22(28)23-3)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11,14,18-19,29H,10,12-13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062336
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1cnc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H28N4O4/c1-13(2)8-16(11-19(26)25-29)20(27)24-18(21(28)22-3)10-14-9-15-6-4-5-7-17(15)23-12-14/h4-7,9,12-13,16,18,29H,8,10-11H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,18-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062298
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50062356
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-((S)-1-phe...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C24H32N4O4/c1-16(2)13-20(15-22(29)28-32)23(30)27-21(14-18-9-11-25-12-10-18)24(31)26-17(3)19-7-5-4-6-8-19/h4-12,16-17,20-21,32H,13-15H2,1-3H3,(H,26,31)(H,27,30)(H,28,29)/t17-,20+,21+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062306
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C26H39N5O5/c1-18(2)14-19(16-24(32)30-35)25(33)29-23(15-20-17-28-22-7-4-3-6-21(20)22)26(34)27-8-5-9-31-10-12-36-13-11-31/h3-4,6-7,17-19,23,28,35H,5,8-16H2,1-2H3,(H,27,34)(H,29,33)(H,30,32)/t19-,23+/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50062310
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C26H33N5O4/c1-17(2)13-18(15-24(32)31-35)25(33)30-23(14-19-16-29-22-9-4-3-8-21(19)22)26(34)28-12-10-20-7-5-6-11-27-20/h3-9,11,16-18,23,29,35H,10,12-15H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,23+/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)

More data for this
Ligand-Target Pair
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