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PubMed code 8277511

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043591
PNG
(1N-phenyl-11-amino-2-[1-[1-amino-(1R)-ethylcarboxa...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NC(CCCCCCCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H45N5O3/c1-23(32)28(36)34-27(21-20-24-15-9-7-10-16-24)30(38)35-26(19-13-5-3-2-4-6-14-22-31)29(37)33-25-17-11-8-12-18-25/h7-12,15-18,23,26-27H,2-6,13-14,19-22,31-32H2,1H3,(H,33,37)(H,34,36)(H,35,38)/t23-,26?,27+/m1/s1
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110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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))
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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200n/an/an/an/an/an/a7.5n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast gelatinase A at pH 7.5


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043584
PNG
(1N-(4-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)16-23(26(33)28-20-11-13-21(34-4)14-12-20)30-25(32)22(29-24(31)18(3)27)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18,22-23H,10,15-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/m1/s1
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230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043593
PNG
(1N-phenyl-8-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H39N5O3/c1-20(29)25(33)31-24(18-17-21-12-6-4-7-13-21)27(35)32-23(16-10-2-3-11-19-28)26(34)30-22-14-8-5-9-15-22/h4-9,12-15,20,23-24H,2-3,10-11,16-19,28-29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+/m1/s1
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370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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))
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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410n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rabbit fibroblast gelatinase A


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))
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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450n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast gelatinase B


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
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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470n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043601
PNG
(1N-phenyl-7-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H37N5O3/c1-19(28)24(32)30-23(17-16-20-11-5-2-6-12-20)26(34)31-22(15-9-4-10-18-27)25(33)29-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22-23H,4,9-10,15-18,27-28H2,1H3,(H,29,33)(H,30,32)(H,31,34)/t19-,22+,23+/m1/s1
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510n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043593
PNG
(1N-phenyl-8-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H39N5O3/c1-20(29)25(33)31-24(18-17-21-12-6-4-7-13-21)27(35)32-23(16-10-2-3-11-19-28)26(34)30-22-14-8-5-9-15-22/h4-9,12-15,20,23-24H,2-3,10-11,16-19,28-29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23+,24+/m1/s1
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540n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043592
PNG
(1N-(3-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)c1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)15-23(26(33)28-20-11-8-12-21(16-20)34-4)30-25(32)22(29-24(31)18(3)27)14-13-19-9-6-5-7-10-19/h5-12,16-18,22-23H,13-15,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/m1/s1
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590n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043589
PNG
(1N-phenyl-6-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H35N5O3/c1-18(27)23(31)29-22(16-15-19-10-4-2-5-11-19)25(33)30-21(14-8-9-17-26)24(32)28-20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17,26-27H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t18-,21+,22+/m1/s1
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640n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(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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760n/an/an/an/an/an/a6.5n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase at pH 6.5


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))
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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760n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rabbit fibroblast gelatinase B


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043596
PNG
(1N-phenyl-4-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H33N5O3/c1-17(26)22(30)28-21(15-14-18-9-4-2-5-10-18)24(32)29-20(13-8-16-25)23(31)27-19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16,25-26H2,1H3,(H,27,31)(H,28,30)(H,29,32)/t17-,20+,21+/m1/s1
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820n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043589
PNG
(1N-phenyl-6-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H35N5O3/c1-18(27)23(31)29-22(16-15-19-10-4-2-5-11-19)25(33)30-21(14-8-9-17-26)24(32)28-20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17,26-27H2,1H3,(H,28,32)(H,29,31)(H,30,33)/t18-,21+,22+/m1/s1
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850n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043591
PNG
(1N-phenyl-11-amino-2-[1-[1-amino-(1R)-ethylcarboxa...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NC(CCCCCCCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H45N5O3/c1-23(32)28(36)34-27(21-20-24-15-9-7-10-16-24)30(38)35-26(19-13-5-3-2-4-6-14-22-31)29(37)33-25-17-11-8-12-18-25/h7-12,15-18,23,26-27H,2-6,13-14,19-22,31-32H2,1H3,(H,33,37)(H,34,36)(H,35,38)/t23-,26?,27+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043592
PNG
(1N-(3-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)c1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)15-23(26(33)28-20-11-8-12-21(16-20)34-4)30-25(32)22(29-24(31)18(3)27)14-13-19-9-6-5-7-10-19/h5-12,16-18,22-23H,13-15,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/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 fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043584
PNG
(1N-(4-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)16-23(26(33)28-20-11-13-21(34-4)14-12-20)30-25(32)22(29-24(31)18(3)27)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18,22-23H,10,15-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/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 fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043596
PNG
(1N-phenyl-4-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H33N5O3/c1-17(26)22(30)28-21(15-14-18-9-4-2-5-10-18)24(32)29-20(13-8-16-25)23(31)27-19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16,25-26H2,1H3,(H,27,31)(H,28,30)(H,29,32)/t17-,20+,21+/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 human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043601
PNG
(1N-phenyl-7-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H37N5O3/c1-19(28)24(32)30-23(17-16-20-11-5-2-6-12-20)26(34)31-22(15-9-4-10-18-27)25(33)29-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22-23H,4,9-10,15-18,27-28H2,1H3,(H,29,33)(H,30,32)(H,31,34)/t19-,22+,23+/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 human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043586
PNG
(1N-phenyl-2-{1-[1-amino-(1R)-ethylcarboxamido]-4-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H36N4O3/c1-18(2)17-23(26(33)28-21-14-8-5-9-15-21)30-25(32)22(29-24(31)19(3)27)16-10-13-20-11-6-4-7-12-20/h4-9,11-12,14-15,18-19,22-23H,10,13,16-17,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)/t19-,22+,23+/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 human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043590
PNG
(1N-phenyl-4-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-16(25)21(29)27-19(13-12-17-8-4-2-5-9-17)23(31)28-20(14-15-24)22(30)26-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15,24-25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/t16-,19+,20+/m1/s1
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1.74E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043586
PNG
(1N-phenyl-2-{1-[1-amino-(1R)-ethylcarboxamido]-4-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H36N4O3/c1-18(2)17-23(26(33)28-21-14-8-5-9-15-21)30-25(32)22(29-24(31)19(3)27)16-10-13-20-11-6-4-7-12-20/h4-9,11-12,14-15,18-19,22-23H,10,13,16-17,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)/t19-,22+,23+/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043600
PNG
(1N-(2-amino-1-phenylcarbamoylethyl)-2-[1-amino-(1R...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-15(24)20(28)26-18(13-12-16-8-4-2-5-9-16)21(29)27-19(14-23)22(30)25-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,23-24H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t15-,18+,19+/m1/s1
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3.18E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043590
PNG
(1N-phenyl-4-amino-2-[1-[1-amino-(1R)-ethylcarboxam...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-16(25)21(29)27-19(13-12-17-8-4-2-5-9-17)23(31)28-20(14-15-24)22(30)26-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15,24-25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/t16-,19+,20+/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043594
PNG
(1N-(2-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N
Show InChI InChI=1S/C26H36N4O4/c1-17(2)16-22(26(33)28-20-12-8-9-13-23(20)34-4)30-25(32)21(29-24(31)18(3)27)15-14-19-10-6-5-7-11-19/h5-13,17-18,21-22H,14-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,21+,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043594
PNG
(1N-(2-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N
Show InChI InChI=1S/C26H36N4O4/c1-17(2)16-22(26(33)28-20-12-8-9-13-23(20)34-4)30-25(32)21(29-24(31)18(3)27)15-14-19-10-6-5-7-11-19/h5-13,17-18,21-22H,14-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,21+,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043600
PNG
(1N-(2-amino-1-phenylcarbamoylethyl)-2-[1-amino-(1R...)
Show SMILES C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H29N5O3/c1-15(24)20(28)26-18(13-12-16-8-4-2-5-9-16)21(29)27-19(14-23)22(30)25-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,23-24H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t15-,18+,19+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043578
PNG
(1N-phenyl-2-[1-amino-(1R)-ethylcarboxamido(phenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N4O3/c1-15(2)14-19(22(29)25-18-12-8-5-9-13-18)26-23(30)20(27-21(28)16(3)24)17-10-6-4-7-11-17/h4-13,15-16,19-20H,14,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t16-,19+,20+/m1/s1
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3.40E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(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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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
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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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043581
PNG
(1N-[1-[1-benzylcarbamoyl-2-phenyl-(1S)-ethylcarbam...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H40N4O3/c1-19(2)15-23(29)26(33)31-24(16-20(3)4)28(35)32-25(17-21-11-7-5-8-12-21)27(34)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-25H,15-18,29H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24+,25+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043587
PNG
(1N-[1-benzylcarbamoyl-2-phenyl-(1S)-ethyl]-2-[1-am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H38N4O3/c1-18(2)15-22(31-27(34)24(28)19(3)4)26(33)30-23(16-20-11-7-5-8-12-20)25(32)29-17-21-13-9-6-10-14-21/h5-14,18-19,22-24H,15-17,28H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)/t22-,23-,24+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043578
PNG
(1N-phenyl-2-[1-amino-(1R)-ethylcarboxamido(phenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N4O3/c1-15(2)14-19(22(29)25-18-12-8-5-9-13-18)26-23(30)20(27-21(28)16(3)24)17-10-6-4-7-11-17/h4-13,15-16,19-20H,14,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t16-,19+,20+/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043585
PNG
(1N-phenyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-2-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H33N5O3/c1-16(2)13-22(25(33)29-19-9-5-4-6-10-19)31-26(34)23(30-24(32)17(3)27)14-18-15-28-21-12-8-7-11-20(18)21/h4-12,15-17,22-23,28H,13-14,27H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)/t17-,22+,23+/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043588
PNG
(1N-[1-phenyl-(1S)-ethyl]-2-[1-[1-amino-(1R)-ethylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-17(2)14-24(27(35)31-19(4)20-10-6-5-7-11-20)33-28(36)25(32-26(34)18(3)29)15-21-16-30-23-13-9-8-12-22(21)23/h5-13,16-19,24-25,30H,14-15,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t18-,19+,24+,25+/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043585
PNG
(1N-phenyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-2-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H33N5O3/c1-16(2)13-22(25(33)29-19-9-5-4-6-10-19)31-26(34)23(30-24(32)17(3)27)14-18-15-28-21-12-8-7-11-20(18)21/h4-12,15-17,22-23,28H,13-14,27H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)/t17-,22+,23+/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043581
PNG
(1N-[1-[1-benzylcarbamoyl-2-phenyl-(1S)-ethylcarbam...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H40N4O3/c1-19(2)15-23(29)26(33)31-24(16-20(3)4)28(35)32-25(17-21-11-7-5-8-12-21)27(34)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-25H,15-18,29H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24+,25+/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043588
PNG
(1N-[1-phenyl-(1S)-ethyl]-2-[1-[1-amino-(1R)-ethylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-17(2)14-24(27(35)31-19(4)20-10-6-5-7-11-20)33-28(36)25(32-26(34)18(3)29)15-21-16-30-23-13-9-8-12-22(21)23/h5-13,16-19,24-25,30H,14-15,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t18-,19+,24+,25+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043580
PNG
(1N-phenethyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-18(2)15-24(27(35)30-14-13-20-9-5-4-6-10-20)33-28(36)25(32-26(34)19(3)29)16-21-17-31-23-12-8-7-11-22(21)23/h4-12,17-19,24-25,31H,13-16,29H2,1-3H3,(H,30,35)(H,32,34)(H,33,36)/t19-,24+,25+/m1/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043578
PNG
(1N-phenyl-2-[1-amino-(1R)-ethylcarboxamido(phenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N4O3/c1-15(2)14-19(22(29)25-18-12-8-5-9-13-18)26-23(30)20(27-21(28)16(3)24)17-10-6-4-7-11-17/h4-13,15-16,19-20H,14,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t16-,19+,20+/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043599
PNG
(1N-[1-[1-carbamoyl-(1S)-pentylcarbamoyl]-3-methyl-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C32H51N7O5/c1-6-8-13-24(28(34)40)36-31(43)26(16-19(3)4)39-30(42)25(14-9-7-2)37-32(44)27(38-29(41)20(5)33)17-21-18-35-23-15-11-10-12-22(21)23/h10-12,15,18-20,24-27,35H,6-9,13-14,16-17,33H2,1-5H3,(H2,34,40)(H,36,43)(H,37,44)(H,38,41)(H,39,42)/t20-,24+,25+,26+,27+/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043583
PNG
(1N-benzyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-2-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H35N5O3/c1-17(2)13-23(26(34)30-15-19-9-5-4-6-10-19)32-27(35)24(31-25(33)18(3)28)14-20-16-29-22-12-8-7-11-21(20)22/h4-12,16-18,23-24,29H,13-15,28H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)/t18-,23+,24+/m1/s1
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n/an/a 2.39E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043579
PNG
(1N-[1-carbamoyl-3-methyl-(1S)-butyl]-2-[1-[1-amino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H40N6O4/c1-5-6-10-20(25(35)31-21(23(28)33)12-15(2)3)30-26(36)22(32-24(34)16(4)27)13-17-14-29-19-11-8-7-9-18(17)19/h7-9,11,14-16,20-22,29H,5-6,10,12-13,27H2,1-4H3,(H2,28,33)(H,30,36)(H,31,35)(H,32,34)/t16-,20+,21+,22+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043597
PNG
(1N-[1-[1-benzylcarbamoyl-3-methyl-(1S)-butylcarbam...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H41N5O3/c1-19(2)14-24(31)28(36)34-27(16-22-18-32-25-13-9-8-12-23(22)25)30(38)35-26(15-20(3)4)29(37)33-17-21-10-6-5-7-11-21/h5-13,18-20,24,26-27,32H,14-17,31H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t24-,26+,27+/m1/s1
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n/an/a 2.73E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043583
PNG
(1N-benzyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-2-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H35N5O3/c1-17(2)13-23(26(34)30-15-19-9-5-4-6-10-19)32-27(35)24(31-25(33)18(3)28)14-20-16-29-22-12-8-7-11-21(20)22/h4-12,16-18,23-24,29H,13-15,28H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)/t18-,23+,24+/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043580
PNG
(1N-phenethyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-18(2)15-24(27(35)30-14-13-20-9-5-4-6-10-20)33-28(36)25(32-26(34)19(3)29)16-21-17-31-23-12-8-7-11-22(21)23/h4-12,17-19,24-25,31H,13-16,29H2,1-3H3,(H,30,35)(H,32,34)(H,33,36)/t19-,24+,25+/m1/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043602
PNG
(1N-[1-phenyl-(1R)-ethyl]-2-[1-[1-amino-(1R)-ethylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-17(2)14-24(27(35)31-19(4)20-10-6-5-7-11-20)33-28(36)25(32-26(34)18(3)29)15-21-16-30-23-13-9-8-12-22(21)23/h5-13,16-19,24-25,30H,14-15,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t18-,19-,24+,25+/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043595
PNG
(1N-phenyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-2-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H32N4O3/c1-16(2)14-20(23(30)26-19-12-8-5-9-13-19)28-24(31)21(27-22(29)17(3)25)15-18-10-6-4-7-11-18/h4-13,16-17,20-21H,14-15,25H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t17-,20+,21+/m1/s1
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n/an/a 5.21E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043597
PNG
(1N-[1-[1-benzylcarbamoyl-3-methyl-(1S)-butylcarbam...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H41N5O3/c1-19(2)14-24(31)28(36)34-27(16-22-18-32-25-13-9-8-12-23(22)25)30(38)35-26(15-20(3)4)29(37)33-17-21-10-6-5-7-11-21/h5-13,18-20,24,26-27,32H,14-17,31H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t24-,26+,27+/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043599
PNG
(1N-[1-[1-carbamoyl-(1S)-pentylcarbamoyl]-3-methyl-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C32H51N7O5/c1-6-8-13-24(28(34)40)36-31(43)26(16-19(3)4)39-30(42)25(14-9-7-2)37-32(44)27(38-29(41)20(5)33)17-21-18-35-23-15-11-10-12-22(21)23/h10-12,15,18-20,24-27,35H,6-9,13-14,16-17,33H2,1-5H3,(H2,34,40)(H,36,43)(H,37,44)(H,38,41)(H,39,42)/t20-,24+,25+,26+,27+/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043602
PNG
(1N-[1-phenyl-(1R)-ethyl]-2-[1-[1-amino-(1R)-ethylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C28H37N5O3/c1-17(2)14-24(27(35)31-19(4)20-10-6-5-7-11-20)33-28(36)25(32-26(34)18(3)29)15-21-16-30-23-13-9-8-12-22(21)23/h5-13,16-19,24-25,30H,14-15,29H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t18-,19-,24+,25+/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043579
PNG
(1N-[1-carbamoyl-3-methyl-(1S)-butyl]-2-[1-[1-amino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H40N6O4/c1-5-6-10-20(25(35)31-21(23(28)33)12-15(2)3)30-26(36)22(32-24(34)16(4)27)13-17-14-29-19-11-8-7-9-18(17)19/h7-9,11,14-16,20-22,29H,5-6,10,12-13,27H2,1-4H3,(H2,28,33)(H,30,36)(H,31,35)(H,32,34)/t16-,20+,21+,22+/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043587
PNG
(1N-[1-benzylcarbamoyl-2-phenyl-(1S)-ethyl]-2-[1-am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H38N4O3/c1-18(2)15-22(31-27(34)24(28)19(3)4)26(33)30-23(16-20-11-7-5-8-12-20)25(32)29-17-21-13-9-6-10-14-21/h5-14,18-19,22-24H,15-17,28H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)/t22-,23-,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043598
PNG
(1N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-3...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C21H34N4O3/c1-13(2)10-16(22)20(27)25-18(11-14(3)4)21(28)24-17(19(23)26)12-15-8-6-5-7-9-15/h5-9,13-14,16-18H,10-12,22H2,1-4H3,(H2,23,26)(H,24,28)(H,25,27)/t16-,17+,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043595
PNG
(1N-phenyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-2-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H32N4O3/c1-16(2)14-20(23(30)26-19-12-8-5-9-13-19)28-24(31)21(27-22(29)17(3)25)15-18-10-6-4-7-11-18/h4-13,16-17,20-21H,14-15,25H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t17-,20+,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 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
* indicates data uncertainty>20%