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23 molecules are shown

Wt: 427.3
BDBM50076341
Wt: 323.3
BDBM50076343
Wt: 377.4
BDBM50076346
Wt: 419.5
BDBM50076348
Wt: 367.4
BDBM50076351
Wt: 482.6
BDBM50076354
Wt: 324.3
BDBM50076333
Wt: 473.5
BDBM50076334
Wt: 470.5
BDBM50076336
Wt: 355.4
BDBM50076338
Wt: 353.4
BDBM50076339
Wt: 338.4
BDBM50076357
Wt: 365.4
BDBM50076358
Wt: 498.6
BDBM50076363
Wt: 393.4
BDBM50076364
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50076341,50076343,50076346,50076348,50076351,50076354,50076333,50076334,50076336,50076338,50076339,50076357,50076358,50076363,50076364   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (human))
BDBM50076341
PNG
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)
Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
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18n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (MMP-3)


J Med Chem 47: 3065-74 (2004)


Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50076341
PNG
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)
Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
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18n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50076338
PNG
((S)-3-(4-Fluoro-phenyl)-N-methyl-2-[3-(5-thioxo-4,...)
Show SMILES CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H14FN5O2S2/c1-15-10(20)9(6-7-2-4-8(14)5-3-7)16-11(21)17-12-18-19-13(22)23-12/h2-5,9H,6H2,1H3,(H,15,20)(H,19,22)(H2,16,17,18,21)/t9-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076357
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H14N4O3S2/c1-20-10(18)9(7-8-5-3-2-4-6-8)14-11(19)15-12-16-17-13(21)22-12/h2-6,9H,7H2,1H3,(H,17,21)(H2,14,15,16,19)/t9-/m0/s1
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290n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076339
PNG
((S)-3-(4-Hydroxy-phenyl)-N-methyl-2-[3-(5-thioxo-4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O3S2/c1-14-10(20)9(6-7-2-4-8(19)5-3-7)15-11(21)16-12-17-18-13(22)23-12/h2-5,9,19H,6H2,1H3,(H,14,20)(H,18,22)(H2,15,16,17,21)/t9-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076336
PNG
(1-[(S)-1-Benzyl-2-oxo-2-(4-pyrimidin-2-yl-piperazi...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)c2ncccn2)s1
Show InChI InChI=1S/C20H22N8O2S2/c29-16(27-9-11-28(12-10-27)17-21-7-4-8-22-17)15(13-14-5-2-1-3-6-14)23-18(30)24-19-25-26-20(31)32-19/h1-8,15H,9-13H2,(H,26,31)(H2,23,24,25,30)/t15-/m0/s1
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420n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076351
PNG
((S)-3-(4-Methoxy-phenyl)-N-methyl-2-[3-(5-thioxo-4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C14H17N5O3S2/c1-15-11(20)10(7-8-3-5-9(22-2)6-4-8)16-12(21)17-13-18-19-14(23)24-13/h3-6,10H,7H2,1-2H3,(H,15,20)(H,19,23)(H2,16,17,18,21)/t10-/m0/s1
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460n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076334
PNG
((S)-N-(3,4-Dimethoxy-benzyl)-3-phenyl-2-[3-(5-thio...)
Show SMILES COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2nnc(S)s2)cc1OC
Show InChI InChI=1S/C21H23N5O4S2/c1-29-16-9-8-14(11-17(16)30-2)12-22-18(27)15(10-13-6-4-3-5-7-13)23-19(28)24-20-25-26-21(31)32-20/h3-9,11,15H,10,12H2,1-2H3,(H,22,27)(H,26,31)(H2,23,24,25,28)/t15-/m0/s1
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490n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076346
PNG
(1-((S)-1-Benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-3-(...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)s1
Show InChI InChI=1S/C16H19N5O2S2/c22-13(21-8-4-5-9-21)12(10-11-6-2-1-3-7-11)17-14(23)18-15-19-20-16(24)25-15/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)(H2,17,18,19,23)/t12-/m0/s1
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660n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076348
PNG
((S)-N-Cyclohexylmethyl-3-phenyl-2-[3-(5-thioxo-4,5...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCCCC2)s1
Show InChI InChI=1S/C19H25N5O2S2/c25-16(20-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)21-17(26)22-18-23-24-19(27)28-18/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t15-/m0/s1
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810n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076354
PNG
(1-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C23H26N6O2S2/c30-20(29-13-11-28(12-14-29)16-18-9-5-2-6-10-18)19(15-17-7-3-1-4-8-17)24-21(31)25-22-26-27-23(32)33-22/h1-10,19H,11-16H2,(H,27,32)(H2,24,25,26,31)/t19-/m0/s1
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860n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076364
PNG
(1-((S)-1-Benzyl-2-morpholin-4-yl-2-oxo-ethyl)-3-(5...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)s1
Show InChI InChI=1S/C16H19N5O3S2/c22-13(21-6-8-24-9-7-21)12(10-11-4-2-1-3-5-11)17-14(23)18-15-19-20-16(25)26-15/h1-5,12H,6-10H2,(H,20,25)(H2,17,18,19,23)/t12-/m0/s1
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930n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076363
PNG
(1-{(S)-1-Benzyl-2-[4-(4-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C23H26N6O3S2/c1-32-18-9-7-17(8-10-18)28-11-13-29(14-12-28)20(30)19(15-16-5-3-2-4-6-16)24-21(31)25-22-26-27-23(33)34-22/h2-10,19H,11-15H2,1H3,(H,27,33)(H2,24,25,26,31)/t19-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076358
PNG
((S)-N-Isopropyl-3-phenyl-2-[3-(5-thioxo-4,5-dihydr...)
Show SMILES CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C15H19N5O2S2/c1-9(2)16-12(21)11(8-10-6-4-3-5-7-10)17-13(22)18-14-19-20-15(23)24-14/h3-7,9,11H,8H2,1-2H3,(H,16,21)(H,20,23)(H2,17,18,19,22)/t11-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50076341
PNG
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)
Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)


J Med Chem 47: 3065-74 (2004)


Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076341
PNG
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)
Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076333
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H12N4O3S2/c17-9(18)8(6-7-4-2-1-3-5-7)13-10(19)14-11-15-16-12(20)21-11/h1-5,8H,6H2,(H,16,20)(H,17,18)(H2,13,14,15,19)/t8-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076343
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (MMP-3)


J Med Chem 47: 3065-74 (2004)


Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076343
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076363
PNG
(1-{(S)-1-Benzyl-2-[4-(4-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C23H26N6O3S2/c1-32-18-9-7-17(8-10-18)28-11-13-29(14-12-28)20(30)19(15-16-5-3-2-4-6-16)24-21(31)25-22-26-27-23(33)34-22/h2-10,19H,11-15H2,1H3,(H,27,33)(H2,24,25,26,31)/t19-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076334
PNG
((S)-N-(3,4-Dimethoxy-benzyl)-3-phenyl-2-[3-(5-thio...)
Show SMILES COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2nnc(S)s2)cc1OC
Show InChI InChI=1S/C21H23N5O4S2/c1-29-16-9-8-14(11-17(16)30-2)12-22-18(27)15(10-13-6-4-3-5-7-13)23-19(28)24-20-25-26-21(31)32-20/h3-9,11,15H,10,12H2,1-2H3,(H,22,27)(H,26,31)(H2,23,24,25,28)/t15-/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076338
PNG
((S)-3-(4-Fluoro-phenyl)-N-methyl-2-[3-(5-thioxo-4,...)
Show SMILES CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H14FN5O2S2/c1-15-10(20)9(6-7-2-4-8(14)5-3-7)16-11(21)17-12-18-19-13(22)23-12/h2-5,9H,6H2,1H3,(H,15,20)(H,19,22)(H2,16,17,18,21)/t9-/m0/s1
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8.90E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076336
PNG
(1-[(S)-1-Benzyl-2-oxo-2-(4-pyrimidin-2-yl-piperazi...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)c2ncccn2)s1
Show InChI InChI=1S/C20H22N8O2S2/c29-16(27-9-11-28(12-10-27)17-21-7-4-8-22-17)15(13-14-5-2-1-3-6-14)23-18(30)24-19-25-26-20(31)32-19/h1-8,15H,9-13H2,(H,26,31)(H2,23,24,25,30)/t15-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076351
PNG
((S)-3-(4-Methoxy-phenyl)-N-methyl-2-[3-(5-thioxo-4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C14H17N5O3S2/c1-15-11(20)10(7-8-3-5-9(22-2)6-4-8)16-12(21)17-13-18-19-14(23)24-13/h3-6,10H,7H2,1-2H3,(H,15,20)(H,19,23)(H2,16,17,18,21)/t10-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076357
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H14N4O3S2/c1-20-10(18)9(7-8-5-3-2-4-6-8)14-11(19)15-12-16-17-13(21)22-12/h2-6,9H,7H2,1H3,(H,17,21)(H2,14,15,16,19)/t9-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076346
PNG
(1-((S)-1-Benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-3-(...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)s1
Show InChI InChI=1S/C16H19N5O2S2/c22-13(21-8-4-5-9-21)12(10-11-6-2-1-3-7-11)17-14(23)18-15-19-20-16(24)25-15/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)(H2,17,18,19,23)/t12-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076339
PNG
((S)-3-(4-Hydroxy-phenyl)-N-methyl-2-[3-(5-thioxo-4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O3S2/c1-14-10(20)9(6-7-2-4-8(19)5-3-7)15-11(21)16-12-17-18-13(22)23-12/h2-5,9,19H,6H2,1H3,(H,14,20)(H,18,22)(H2,15,16,17,21)/t9-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076354
PNG
(1-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C23H26N6O2S2/c30-20(29-13-11-28(12-14-29)16-18-9-5-2-6-10-18)19(15-17-7-3-1-4-8-17)24-21(31)25-22-26-27-23(32)33-22/h1-10,19H,11-16H2,(H,27,32)(H2,24,25,26,31)/t19-/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076364
PNG
(1-((S)-1-Benzyl-2-morpholin-4-yl-2-oxo-ethyl)-3-(5...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)s1
Show InChI InChI=1S/C16H19N5O3S2/c22-13(21-6-8-24-9-7-21)12(10-11-4-2-1-3-5-11)17-14(23)18-15-19-20-16(25)26-15/h1-5,12H,6-10H2,(H,20,25)(H2,17,18,19,23)/t12-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50076343
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)


J Med Chem 47: 3065-74 (2004)


Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076343
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076333
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H12N4O3S2/c17-9(18)8(6-7-4-2-1-3-5-7)13-10(19)14-11-15-16-12(20)21-11/h1-5,8H,6H2,(H,16,20)(H,17,18)(H2,13,14,15,19)/t8-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076348
PNG
((S)-N-Cyclohexylmethyl-3-phenyl-2-[3-(5-thioxo-4,5...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCCCC2)s1
Show InChI InChI=1S/C19H25N5O2S2/c25-16(20-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)21-17(26)22-18-23-24-19(27)28-18/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t15-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-1


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair