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Compile Data Set for Download or QSAR

Found 635 hits with Last Name = 'lanza' and Initial = 'tj'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50288674
PNG
(CHEMBL420674 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057073
PNG
((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-4-((S)-3-methy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)C[C@H](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM50057050
PNG
((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C34H42FN3O4/c1-5-6-7-27(33(41)42)22-26(13-10-23-8-11-24(12-9-23)25-14-16-28(35)17-15-25)31(39)38-30(34(2,3)4)32(40)37-29-18-20-36-21-19-29/h8-9,11-12,14-21,26-27,30H,5-7,10,13,22H2,1-4H3,(H,38,39)(H,41,42)(H,36,37,40)/t26-,27+,30-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288672
PNG
(CHEMBL113362 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES COc1cccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C36H44N3O7P/c1-25(2)22-32(34(41)37-28-13-5-4-6-14-28)38-33(40)27(19-18-26-12-11-15-29(23-26)46-3)24-47(44,45)21-10-9-20-39-35(42)30-16-7-8-17-31(30)36(39)43/h4-8,11-17,23,25,27,32H,9-10,18-22,24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288673
PNG
(CHEMBL264455 | {4-[((S)-1-Benzoyl-pyrrolidine-2-ca...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C39H51N4O6P/c1-29(2)27-34(37(45)41-33-19-10-5-11-20-33)42-36(44)32(23-22-30-15-6-3-7-16-30)28-50(48,49)26-13-12-24-40-38(46)35-21-14-25-43(35)39(47)31-17-8-4-9-18-31/h3-11,15-20,29,32,34-35H,12-14,21-28H2,1-2H3,(H,40,46)(H,41,45)(H,42,44)(H,48,49)/t32-,34+,35+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288683
PNG
(CHEMBL109438 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES COc1ccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C36H44N3O7P/c1-25(2)23-32(34(41)37-28-11-5-4-6-12-28)38-33(40)27(18-15-26-16-19-29(46-3)20-17-26)24-47(44,45)22-10-9-21-39-35(42)30-13-7-8-14-31(30)36(39)43/h4-8,11-14,16-17,19-20,25,27,32H,9-10,15,18,21-24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288672
PNG
(CHEMBL113362 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES COc1cccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C36H44N3O7P/c1-25(2)22-32(34(41)37-28-13-5-4-6-14-28)38-33(40)27(19-18-26-12-11-15-29(23-26)46-3)24-47(44,45)21-10-9-20-39-35(42)30-16-7-8-17-31(30)36(39)43/h4-8,11-17,23,25,27,32H,9-10,18-22,24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057063
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-phenylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C35H43FN2O4/c1-5-6-10-28(34(41)42)23-27(18-15-24-13-16-25(17-14-24)26-19-21-29(36)22-20-26)32(39)38-31(35(2,3)4)33(40)37-30-11-8-7-9-12-30/h7-9,11-14,16-17,19-22,27-28,31H,5-6,10,15,18,23H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27-,28+,31-/m1/s1
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288677
PNG
(CHEMBL324691 | [(E)-4-(1,3-Dioxo-1,3-dihydro-isoin...)
Show SMILES CC(C)C[C@H](NC(=O)C(CCc1ccccc1)=CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H40N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,24-25,31H,11-12,19-23H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t31-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288677
PNG
(CHEMBL324691 | [(E)-4-(1,3-Dioxo-1,3-dihydro-isoin...)
Show SMILES CC(C)C[C@H](NC(=O)C(CCc1ccccc1)=CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H40N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,24-25,31H,11-12,19-23H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t31-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057041
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(SC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O4S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288678
PNG
(CHEMBL320968 | [(S)-2-((S)-3-Methyl-1-phenylcarbam...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1Cc2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H44N3O5P/c1-26(2)23-32(34(40)36-30-16-7-4-8-17-30)37-33(39)29(20-19-27-13-5-3-6-14-27)25-44(42,43)22-12-11-21-38-24-28-15-9-10-18-31(28)35(38)41/h3-10,13-18,26,29,32H,11-12,19-25H2,1-2H3,(H,36,40)(H,37,39)(H,42,43)/t29-,32+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288681
PNG
((4-Benzoylamino-butyl)-[(S)-2-((S)-3-methyl-1-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H44N3O5P/c1-26(2)24-31(34(40)36-30-18-10-5-11-19-30)37-33(39)29(21-20-27-14-6-3-7-15-27)25-43(41,42)23-13-12-22-35-32(38)28-16-8-4-9-17-28/h3-11,14-19,26,29,31H,12-13,20-25H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)(H,41,42)/t29-,31+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288687
PNG
(CHEMBL111975 | {4-[((S)-1-Acetyl-pyrrolidine-2-car...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30+,31+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043582
PNG
(1N-phenyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H34N4O3/c1-17(2)16-22(25(32)27-20-12-8-5-9-13-20)29-24(31)21(28-23(30)18(3)26)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22H,14-16,26H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)/t18-,21+,22+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rabbit fibroblast stromelysin


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288678
PNG
(CHEMBL320968 | [(S)-2-((S)-3-Methyl-1-phenylcarbam...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1Cc2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H44N3O5P/c1-26(2)23-32(34(40)36-30-16-7-4-8-17-30)37-33(39)29(20-19-27-13-5-3-6-14-27)25-44(42,43)22-12-11-21-38-24-28-15-9-10-18-31(28)35(38)41/h3-10,13-18,26,29,32H,11-12,19-25H2,1-2H3,(H,36,40)(H,37,39)(H,42,43)/t29-,32+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057061
PNG
((2S,4R)-2-Butyl-6-(4'-cyano-biphenyl-4-yl)-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-26(30(37)38)19-25(28(35)34-27(29(36)33-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-32)13-17-24/h9-10,12-17,25-27H,6-8,11,18-19H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,27-/m1/s1
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057074
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057046
PNG
((2S,4R)-2-Butyl-6-(2'-tert-butylsulfamoyl-biphenyl...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C34H51N3O6S/c1-9-10-13-26(32(40)41)22-25(30(38)36-29(31(39)35-8)33(2,3)4)21-18-23-16-19-24(20-17-23)27-14-11-12-15-28(27)44(42,43)37-34(5,6)7/h11-12,14-17,19-20,25-26,29,37H,9-10,13,18,21-22H2,1-8H3,(H,35,39)(H,36,38)(H,40,41)/t25-,26+,29-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057088
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1F)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41FN2O4/c1-6-7-10-23(29(36)37)19-22(27(34)33-26(28(35)32-5)30(2,3)4)18-15-20-13-16-21(17-14-20)24-11-8-9-12-25(24)31/h8-9,11-14,16-17,22-23,26H,6-7,10,15,18-19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t22-,23+,26-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057062
PNG
((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H45N3O4/c1-6-8-10-25(30(37)38)21-24(16-15-23-13-11-22(9-7-2)12-14-23)28(35)34-27(31(3,4)5)29(36)33-26-17-19-32-20-18-26/h11-14,17-20,24-25,27H,6-10,15-16,21H2,1-5H3,(H,34,35)(H,37,38)(H,32,33,36)/t24-,25+,27-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057039
PNG
((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057054
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cc2ccccc2[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H43N3O4/c1-6-7-10-25(31(38)39)19-24(29(36)35-28(30(37)33-5)32(2,3)4)18-15-21-13-16-22(17-14-21)27-20-23-11-8-9-12-26(23)34-27/h8-9,11-14,16-17,20,24-25,28,34H,6-7,10,15,18-19H2,1-5H3,(H,33,37)(H,35,36)(H,38,39)/t24-,25+,28-/m1/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057076
PNG
((2S,4R)-2-Butyl-6-(2',4'-dichloro-biphenyl-4-yl)-4...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H40Cl2N2O4/c1-6-7-8-22(29(37)38)17-21(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)24-16-15-23(31)18-25(24)32/h9-10,12-13,15-16,18,21-22,26H,6-8,11,14,17H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t21-,22+,26-/m1/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288683
PNG
(CHEMBL109438 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES COc1ccc(CC[C@H](CP(O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C36H44N3O7P/c1-25(2)23-32(34(41)37-28-11-5-4-6-12-28)38-33(40)27(18-15-26-16-19-29(46-3)20-17-26)24-47(44,45)22-10-9-21-39-35(42)30-13-7-8-14-31(30)36(39)43/h4-8,11-14,16-17,19-20,25,27,32H,9-10,15,18,21-24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,32+/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057041
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(SC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O4S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057079
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057075
PNG
((2S,4R)-2-Butyl-6-(4'-chloro-biphenyl-4-yl)-4-((S)...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41ClN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288673
PNG
(CHEMBL264455 | {4-[((S)-1-Benzoyl-pyrrolidine-2-ca...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C39H51N4O6P/c1-29(2)27-34(37(45)41-33-19-10-5-11-20-33)42-36(44)32(23-22-30-15-6-3-7-16-30)28-50(48,49)26-13-12-24-40-38(46)35-21-14-25-43(35)39(47)31-17-8-4-9-18-31/h3-11,15-20,29,32,34-35H,12-14,21-28H2,1-2H3,(H,40,46)(H,41,45)(H,42,44)(H,48,49)/t32-,34+,35+/m1/s1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057061
PNG
((2S,4R)-2-Butyl-6-(4'-cyano-biphenyl-4-yl)-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-26(30(37)38)19-25(28(35)34-27(29(36)33-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-32)13-17-24/h9-10,12-17,25-27H,6-8,11,18-19H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,27-/m1/s1
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057081
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1cccc(c1)-c1ccsc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C28H40N2O4S/c1-6-7-10-22(27(33)34)17-21(25(31)30-24(26(32)29-5)28(2,3)4)13-12-19-9-8-11-20(16-19)23-14-15-35-18-23/h8-9,11,14-16,18,21-22,24H,6-7,10,12-13,17H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t21-,22+,24-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057067
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(C=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H42N2O5/c1-6-7-8-26(30(37)38)19-25(28(35)33-27(29(36)32-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-34)13-17-24/h9-10,12-17,20,25-27H,6-8,11,18-19H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)/t25-,26+,27-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057052
PNG
((2S,4R)-6-(4-Benzyl-phenyl)-2-butyl-4-((S)-2,2-dim...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C36H46N2O4/c1-5-6-15-30(35(41)42)25-29(23-22-26-18-20-28(21-19-26)24-27-13-9-7-10-14-27)33(39)38-32(36(2,3)4)34(40)37-31-16-11-8-12-17-31/h7-14,16-21,29-30,32H,5-6,15,22-25H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t29-,30+,32-/m1/s1
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057067
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(C=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H42N2O5/c1-6-7-8-26(30(37)38)19-25(28(35)33-27(29(36)32-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-34)13-17-24/h9-10,12-17,20,25-27H,6-8,11,18-19H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)/t25-,26+,27-/m1/s1
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288699
PNG
((4-Ethoxycarbonylamino-butyl)-[(S)-2-((S)-3-methyl...)
Show SMILES CCOC(=O)NCCCCP(O)(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H44N3O6P/c1-4-39-30(36)31-19-11-12-20-40(37,38)22-25(18-17-24-13-7-5-8-14-24)28(34)33-27(21-23(2)3)29(35)32-26-15-9-6-10-16-26/h5-10,13-16,23,25,27H,4,11-12,17-22H2,1-3H3,(H,31,36)(H,32,35)(H,33,34)(H,37,38)/t25-,27+/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288668
PNG
(CHEMBL109829 | [4-(3-Ethyl-ureido)-butyl]-[(S)-2-(...)
Show SMILES CCNC(=O)NCCCCP(O)(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H45N4O5P/c1-4-31-30(37)32-19-11-12-20-40(38,39)22-25(18-17-24-13-7-5-8-14-24)28(35)34-27(21-23(2)3)29(36)33-26-15-9-6-10-16-26/h5-10,13-16,23,25,27H,4,11-12,17-22H2,1-3H3,(H,33,36)(H,34,35)(H,38,39)(H2,31,32,37)/t25-,27+/m1/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057039
PNG
((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057074
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057090
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057065
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O6S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)40(6,38)39/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057072
PNG
((2S,4R)-2-Butyl-6-(3'-chloro-4'-fluoro-biphenyl-4-...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H40ClFN2O4/c1-6-7-8-23(29(37)38)17-22(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)21-15-16-25(32)24(31)18-21/h9-10,12-13,15-16,18,22-23,26H,6-8,11,14,17H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t22-,23+,26-/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288668
PNG
(CHEMBL109829 | [4-(3-Ethyl-ureido)-butyl]-[(S)-2-(...)
Show SMILES CCNC(=O)NCCCCP(O)(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H45N4O5P/c1-4-31-30(37)32-19-11-12-20-40(38,39)22-25(18-17-24-13-7-5-8-14-24)28(35)34-27(21-23(2)3)29(36)33-26-15-9-6-10-16-26/h5-10,13-16,23,25,27H,4,11-12,17-22H2,1-3H3,(H,33,36)(H,34,35)(H,38,39)(H2,31,32,37)/t25-,27+/m1/s1
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2)


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288674
PNG
(CHEMBL420674 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31+/m1/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057065
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O6S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)40(6,38)39/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057043
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H41FN2O4/c1-6-7-9-24(29(36)37)18-23(27(34)33-26(28(35)32-5)30(2,3)4)17-14-20-12-15-21(16-13-20)22-10-8-11-25(31)19-22/h8,10-13,15-16,19,23-24,26H,6-7,9,14,17-18H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057081
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1cccc(c1)-c1ccsc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C28H40N2O4S/c1-6-7-10-22(27(33)34)17-21(25(31)30-24(26(32)29-5)28(2,3)4)13-12-19-9-8-11-20(16-19)23-14-15-35-18-23/h8-9,11,14-16,18,21-22,24H,6-7,10,12-13,17H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t21-,22+,24-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057079
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057062
PNG
((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H45N3O4/c1-6-8-10-25(30(37)38)21-24(16-15-23-13-11-22(9-7-2)12-14-23)28(35)34-27(31(3,4)5)29(36)33-26-17-19-32-20-18-26/h11-14,17-20,24-25,27H,6-10,15-16,21H2,1-5H3,(H,34,35)(H,37,38)(H,32,33,36)/t24-,25+,27-/m1/s1
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22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288682
PNG
(CHEMBL110991 | {4-[((R)-1-Benzoyl-pyrrolidine-2-ca...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C39H51N4O6P/c1-29(2)27-34(37(45)41-33-19-10-5-11-20-33)42-36(44)32(23-22-30-15-6-3-7-16-30)28-50(48,49)26-13-12-24-40-38(46)35-21-14-25-43(35)39(47)31-17-8-4-9-18-31/h3-11,15-20,29,32,34-35H,12-14,21-28H2,1-2H3,(H,40,46)(H,41,45)(H,42,44)(H,48,49)/t32-,34+,35-/m1/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057077
PNG
((2S,4R)-2-Butyl-6-(4'-carbamoyl-biphenyl-4-yl)-4-(...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(N)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H43N3O5/c1-6-7-8-25(30(38)39)19-24(28(36)34-26(29(37)33-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27(32)35/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H2,32,35)(H,33,37)(H,34,36)(H,38,39)/t24-,25+,26-/m1/s1
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)


J Med Chem 40: 1026-40 (1997)


Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR
More data for this
Ligand-Target Pair
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