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32 molecules are shown

Wt: 562.7
BDBM50057087
Wt: 512.6
BDBM50057088
Wt: 532.6
BDBM50057089
Wt: 573.5
BDBM50057039
Wt: 562.6
BDBM50057040
Wt: 540.7
BDBM50057041
Wt: 573.7
BDBM50057042
Wt: 512.6
BDBM50057043
Wt: 551.7
BDBM50057044
Wt: 522.7
BDBM50057045
Wt: 563.5
BDBM50057047
Wt: 575.7
BDBM50057050
Wt: 514.6
BDBM50057051
Wt: 560.7
BDBM50057053
Wt: 538.6
BDBM50057057
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50057087,50057088,50057089,50057039,50057040,50057041,50057042,50057043,50057044,50057045,50057047,50057050,50057051,50057053,50057057   
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))
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
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))
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))
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
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
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
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
Stromelysin-1


(Homo sapiens (human))
BDBM50057053
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)-c1ncc[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C33H44N4O4/c1-6-7-8-27(32(40)41)21-26(30(38)37-28(31(39)34-5)33(2,3)4)14-11-22-9-12-23(13-10-22)24-15-17-25(18-16-24)29-35-19-20-36-29/h9-10,12-13,15-20,26-28H,6-8,11,14,21H2,1-5H3,(H,34,39)(H,35,36)(H,37,38)(H,40,41)/t26-,27+,28-/m1/s1
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25n/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))
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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25n/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))
BDBM50057044
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(=O)NC)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H45N3O5/c1-7-8-9-26(31(39)40)20-25(29(37)35-27(30(38)34-6)32(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-24(19-17-23)28(36)33-5/h10-11,13-14,16-19,25-27H,7-9,12,15,20H2,1-6H3,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/t25-,26+,27-/m1/s1
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34n/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))
BDBM50057089
PNG
((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-2-methyl-4-((S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)C[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C32H37FN2O4/c1-21(2)19-29(31(37)34-28-7-5-4-6-8-28)35-30(36)26(20-22(3)32(38)39)14-11-23-9-12-24(13-10-23)25-15-17-27(33)18-16-25/h4-10,12-13,15-18,21-22,26,29H,11,14,19-20H2,1-3H3,(H,34,37)(H,35,36)(H,38,39)/t22-,26+,29-/m0/s1
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38n/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))
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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48n/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))
BDBM50057044
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(=O)NC)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H45N3O5/c1-7-8-9-26(31(39)40)20-25(29(37)35-27(30(38)34-6)32(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-24(19-17-23)28(36)33-5/h10-11,13-14,16-19,25-27H,7-9,12,15,20H2,1-6H3,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/t25-,26+,27-/m1/s1
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49n/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))
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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61n/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))
BDBM50057051
PNG
((2S,4R)-6-Biphenyl-4-yl-2-methyl-4-((S)-3-methyl-1...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccccc1)C[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C32H38N2O4/c1-22(2)20-29(31(36)33-28-12-8-5-9-13-28)34-30(35)27(21-23(3)32(37)38)19-16-24-14-17-26(18-15-24)25-10-6-4-7-11-25/h4-15,17-18,22-23,27,29H,16,19-21H2,1-3H3,(H,33,36)(H,34,35)(H,37,38)/t23-,27+,29-/m0/s1
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82n/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))
BDBM50057053
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)-c1ncc[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C33H44N4O4/c1-6-7-8-27(32(40)41)21-26(30(38)37-28(31(39)34-5)33(2,3)4)14-11-22-9-12-23(13-10-22)24-15-17-25(18-16-24)29-35-19-20-36-29/h9-10,12-13,15-20,26-28H,6-8,11,14,21H2,1-5H3,(H,34,39)(H,35,36)(H,37,38)(H,40,41)/t26-,27+,28-/m1/s1
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94n/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))
BDBM50057087
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)-c1nnn[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H42N6O4/c1-6-7-8-25(30(40)41)19-24(28(38)33-26(29(39)32-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27-34-36-37-35-27/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H,32,39)(H,33,38)(H,40,41)(H,34,35,36,37)/t24-,25+,26-/m1/s1
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350n/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))
BDBM50057057
PNG
(4'-[(3R,5S)-5-Carboxy-3-((S)-2,2-dimethyl-1-methyl...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H42N2O6/c1-6-7-8-25(30(38)39)19-24(27(34)33-26(28(35)32-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)29(36)37/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)(H,38,39)/t24-,25+,26-/m1/s1
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580n/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))
BDBM50057057
PNG
(4'-[(3R,5S)-5-Carboxy-3-((S)-2,2-dimethyl-1-methyl...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H42N2O6/c1-6-7-8-25(30(38)39)19-24(27(34)33-26(28(35)32-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)29(36)37/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)(H,38,39)/t24-,25+,26-/m1/s1
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690n/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))
BDBM50057040
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H41F3N2O4/c1-6-7-9-24(29(39)40)18-23(27(37)36-26(28(38)35-5)30(2,3)4)17-14-20-12-15-21(16-13-20)22-10-8-11-25(19-22)31(32,33)34/h8,10-13,15-16,19,23-24,26H,6-7,9,14,17-18H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t23-,24+,26-/m1/s1
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1.10E+3n/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))
BDBM50057045
PNG
((2S,4R)-2-Butyl-6-(2',6'-dimethyl-biphenyl-4-yl)-4...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1c(C)cccc1C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H46N2O4/c1-8-9-13-26(31(37)38)20-25(29(35)34-28(30(36)33-7)32(4,5)6)19-16-23-14-17-24(18-15-23)27-21(2)11-10-12-22(27)3/h10-12,14-15,17-18,25-26,28H,8-9,13,16,19-20H2,1-7H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,28-/m1/s1
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1.20E+3n/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))
BDBM50057045
PNG
((2S,4R)-2-Butyl-6-(2',6'-dimethyl-biphenyl-4-yl)-4...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1c(C)cccc1C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C32H46N2O4/c1-8-9-13-26(31(37)38)20-25(29(35)34-28(30(36)33-7)32(4,5)6)19-16-23-14-17-24(18-15-23)27-21(2)11-10-12-22(27)3/h10-12,14-15,17-18,25-26,28H,8-9,13,16,19-20H2,1-7H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,28-/m1/s1
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1.30E+3n/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))
BDBM50057047
PNG
((2S,4R)-2-Butyl-6-(3',5'-dichloro-biphenyl-4-yl)-4...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)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)15-21(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)23-16-24(31)18-25(32)17-23/h9-10,12-13,16-18,21-22,26H,6-8,11,14-15H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t21-,22+,26-/m1/s1
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1.50E+3n/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))
BDBM50057047
PNG
((2S,4R)-2-Butyl-6-(3',5'-dichloro-biphenyl-4-yl)-4...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)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)15-21(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)23-16-24(31)18-25(32)17-23/h9-10,12-13,16-18,21-22,26H,6-8,11,14-15H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t21-,22+,26-/m1/s1
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1.60E+3n/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))
BDBM50057087
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)-c1nnn[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H42N6O4/c1-6-7-8-25(30(40)41)19-24(28(38)33-26(29(39)32-5)31(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-23(18-16-22)27-34-36-37-35-27/h9-10,12-13,15-18,24-26H,6-8,11,14,19H2,1-5H3,(H,32,39)(H,33,38)(H,40,41)(H,34,35,36,37)/t24-,25+,26-/m1/s1
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1.80E+3n/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))
BDBM50057040
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H41F3N2O4/c1-6-7-9-24(29(39)40)18-23(27(37)36-26(28(38)35-5)30(2,3)4)17-14-20-12-15-21(16-13-20)22-10-8-11-25(19-22)31(32,33)34/h8,10-13,15-16,19,23-24,26H,6-7,9,14,17-18H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t23-,24+,26-/m1/s1
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3.60E+3n/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))
BDBM50057042
PNG
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)
Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H43N3O6S/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)40(31,38)39/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)(H2,31,38,39)/t22-,23+,26-/m1/s1
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9.40E+3n/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