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9 similar compounds to monomer 50043596

Compile data set for download or QSAR
Wt: 411.4
BDBM50043600
Wt: 452.5
BDBM50043586
Wt: 481.6
BDBM50043593
Wt: 425.5
BDBM50043590
Wt: 438.5
BDBM50043582
Wt: 453.5
BDBM50043589
Wt: 523.7
BDBM50043591
Wt: 467.6
BDBM50043601
Wt: 425.5
BDBM50289125

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50043600,50043586,50043593,50043590,50043582,50043589,50043591,50043601,50289125   
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))
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
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
Collagenase


(Homo sapiens (Human))
BDBM50289125
PNG
(CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
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))
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))
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
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
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
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))
BDBM50289125
PNG
(CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289125
PNG
(CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1
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4.62E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
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
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
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