Found 3142 hits of ic50 data for polymerid = 111 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50137279
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology (BHU)
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 (unknown origin) |
Eur J Med Chem 60: 89-100 (2013)
Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025
BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50072583
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...)Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratory
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA |
Bioorg Med Chem Lett 8: 3251-6 (1999)
BindingDB Entry DOI: 10.7270/Q289152J |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063915
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-[(S)...)Show SMILES CNC(=O)[C@H](Cc1cccc2CCCCc12)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Show InChI InChI=1S/C23H35N3O4/c1-14(2)12-19(15(3)21(27)26-30)22(28)25-20(23(29)24-4)13-17-10-7-9-16-8-5-6-11-18(16)17/h7,9-10,14-15,19-20,30H,5-6,8,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)/t15-,19+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1). |
J Med Chem 41: 1209-17 (1998)
Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063918
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1). |
J Med Chem 41: 1209-17 (1998)
Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50254802
(CHEMBL4088630)Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States.
Curated by ChEMBL
| Assay Description
Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub... |
J Med Chem 61: 2166-2210 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00315
BindingDB Entry DOI: 10.7270/Q2B56N68 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082537
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thi...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims-Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant pro-MMP1 by spectrofluorimeter |
Bioorg Med Chem 16: 8745-59 (2008)
Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
PharmaHungary 2000 Kft.; TargetEx Kft.
US Patent
| Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as... |
US Patent US9487462 (2016)
BindingDB Entry DOI: 10.7270/Q2W094VZ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082543
((S)-4-(4-Bromo-2-methyl-benzenesulfonyl)-2,2-dimet...)Show SMILES Cc1cc(Br)ccc1S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H21BrN2O4S2/c1-10-9-11(16)5-6-12(10)24(21,22)18-7-4-8-23-15(2,3)13(18)14(19)17-20/h5-6,9,13,20H,4,7-8H2,1-3H3,(H,17,19)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082541
((S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-[1,4]...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C14H19BrN2O4S2/c1-14(2)12(13(18)16-19)17(8-3-9-22-14)23(20,21)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063918
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063918
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC sid
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| PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 567-70 (2001)
BindingDB Entry DOI: 10.7270/Q2610ZK1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB
MMDB
Reactome pathway
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| DrugBank
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay |
J Med Chem 45: 219-32 (2001)
BindingDB Entry DOI: 10.7270/Q2XP747B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| DrugBank
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082545
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082545
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States.
Curated by ChEMBL
| Assay Description
Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub... |
J Med Chem 61: 2166-2210 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00315
BindingDB Entry DOI: 10.7270/Q2B56N68 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082991
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2n(C)c(=O)ccc2c1)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C26H38N4O6/c1-15(2)12-18(23(32)28-22(25(34)27-6)26(3,4)5)21(24(33)29-35)36-14-16-8-10-19-17(13-16)9-11-20(31)30(19)7/h8-11,13,15,18,21-22,35H,12,14H2,1-7H3,(H,27,34)(H,28,32)(H,29,33)/t18-,21+,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063918
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloprotease-1 (MMP-1) |
J Med Chem 46: 3514-25 (2003)
Article DOI: 10.1021/jm0308038
BindingDB Entry DOI: 10.7270/Q24F1Q3R |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50181002
((S)-N-hydroxy-2,2-dimethyl-4-(4-(prop-2-ynyloxy)ph...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#C)cc1 Show InChI InChI=1S/C16H20N2O5S2/c1-4-10-23-12-5-7-13(8-6-12)25(21,22)18-9-11-24-16(2,3)14(18)15(19)17-20/h1,5-8,14,20H,9-11H2,2-3H3,(H,17,19)/t14-/m0/s1 | PDB
MMDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
Bioorg Med Chem Lett 16: 1605-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082534
((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082550
((S)-4-(4-Methoxy-benzenesulfonyl)-6-methoxymethoxy...)Show SMILES COCOC1CSC(C)(C)[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C17H26N2O7S2/c1-17(2)15(16(20)18-21)19(9-13(10-27-17)26-11-24-3)28(22,23)14-7-5-12(25-4)6-8-14/h5-8,13,15,21H,9-11H2,1-4H3,(H,18,20)/t13?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50562069
(CHEMBL4785595)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO)C(C)(C)C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PMA-induced human skin fibroblast derived MMP1 by fluorometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530
BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082945
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1cccc2cccnc12)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C24H35N5O6S/c1-14(2)13-16(21(30)27-20(23(32)25-6)24(3,4)5)19(22(31)28-33)29-36(34,35)17-11-7-9-15-10-8-12-26-18(15)17/h7-12,14,16,19-20,29,33H,13H2,1-6H3,(H,25,32)(H,27,30)(H,28,31)/t16-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50072566
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratory
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA |
Bioorg Med Chem Lett 8: 3251-6 (1999)
BindingDB Entry DOI: 10.7270/Q289152J |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratory
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA |
Bioorg Med Chem Lett 8: 3251-6 (1999)
BindingDB Entry DOI: 10.7270/Q289152J |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50072566
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PMA-induced human skin fibroblast derived MMP1 by fluorometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530
BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082957
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C24H35N5O6S/c1-14(2)12-17(21(30)27-20(23(32)25-6)24(3,4)5)19(22(31)28-33)29-36(34,35)16-9-10-18-15(13-16)8-7-11-26-18/h7-11,13-14,17,19-20,29,33H,12H2,1-6H3,(H,25,32)(H,27,30)(H,28,31)/t17-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50072563
((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...)Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratory
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA |
Bioorg Med Chem Lett 8: 3251-6 (1999)
BindingDB Entry DOI: 10.7270/Q289152J |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50098923
((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2CCCN2C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C16H21N3O6S/c1-25-12-4-6-13(7-5-12)26(23,24)19-10-11-3-2-8-18(11)15(20)9-14(19)16(21)17-22/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,17,21)/t11-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1009-13 (2001)
BindingDB Entry DOI: 10.7270/Q2X34Z04 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063918
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratory
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA |
Bioorg Med Chem Lett 8: 3251-6 (1999)
BindingDB Entry DOI: 10.7270/Q289152J |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082552
((S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-1,1-d...)Show SMILES CC1(C)[C@@H](N(CCCS1(=O)=O)S(=O)(=O)c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C14H19BrN2O6S2/c1-14(2)12(13(18)16-19)17(8-3-9-24(14,20)21)25(22,23)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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Patents
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50146634
(CHEMBL328903 | N*1*-(2,2-Dimethyl-1-methylcarbamoy...)Show SMILES CNC(=O)C(NC(=O)C(CC(C)C)C(NS(=O)(=O)c1cccc2cccc(=O)n12)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C24H35N5O7S/c1-14(2)13-16(21(31)26-20(23(33)25-6)24(3,4)5)19(22(32)27-34)28-37(35,36)18-12-8-10-15-9-7-11-17(30)29(15)18/h7-12,14,16,19-20,28,34H,13H2,1-6H3,(H,25,33)(H,26,31)(H,27,32) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 47: 2761-7 (2004)
Article DOI: 10.1021/jm031061l
BindingDB Entry DOI: 10.7270/Q2ZG6T0B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175564
(CHEMBL198634 | N-Hydroxy-2-(7-oxo-7,8-dihydro-6H-q...)Show SMILES ONC(=O)CNS(=O)(=O)C1=CC=CC2=CCC(=O)CN12 |c:11,t:9,13| Show InChI InChI=1S/C11H13N3O5S/c15-9-5-4-8-2-1-3-11(14(8)7-9)20(18,19)12-6-10(16)13-17/h1-4,12,17H,5-7H2,(H,13,16) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070457
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1) |
Bioorg Med Chem Lett 8: 1443-8 (1999)
BindingDB Entry DOI: 10.7270/Q2DF6QB8 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082963
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2nc[nH]c(=O)c2c1)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C23H34N6O7S/c1-12(2)9-15(20(31)27-18(22(33)24-6)23(3,4)5)17(21(32)28-34)29-37(35,36)13-7-8-16-14(10-13)19(30)26-11-25-16/h7-8,10-12,15,17-18,29,34H,9H2,1-6H3,(H,24,33)(H,27,31)(H,28,32)(H,25,26,30)/t15-,17+,18-/m1/s1 | PDB
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Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175542
(7-Oxo-7,8-dihydro-6H-quinolizine-4-carboxylic acid...)Show SMILES ONC(=O)CNC(=O)C1=CC=CC2=CCC(=O)CN12 |c:10,t:8,12| Show InChI InChI=1S/C12H13N3O4/c16-9-5-4-8-2-1-3-10(15(8)7-9)12(18)13-6-11(17)14-19/h1-4,19H,5-7H2,(H,13,18)(H,14,17) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175534
(CHEMBL370842 | N-Hydroxy-3-(7-oxo-7,8-dihydro-6H-q...)Show SMILES ONC(=O)CCS(=O)(=O)C1=CC=CC2=CCC(=O)CN12 |c:11,t:9,13| Show InChI InChI=1S/C12H14N2O5S/c15-10-5-4-9-2-1-3-12(14(9)8-10)20(18,19)7-6-11(16)13-17/h1-4,17H,5-8H2,(H,13,16) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082980
((2R,3S)-2-(Benzenesulfonyl-methyl-amino)-N*4*-((S)...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](N(C)S(=O)(=O)c1ccccc1)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C22H36N4O6S/c1-14(2)13-16(19(27)24-18(21(29)23-6)22(3,4)5)17(20(28)25-30)26(7)33(31,32)15-11-9-8-10-12-15/h8-12,14,16-18,30H,13H2,1-7H3,(H,23,29)(H,24,27)(H,25,28)/t16-,17+,18-/m1/s1 | PDB
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Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims-Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
Bioorg Med Chem 15: 4753-66 (2007)
Article DOI: 10.1016/j.bmc.2007.05.001
BindingDB Entry DOI: 10.7270/Q2Q23ZXN |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1). |
J Med Chem 41: 1209-17 (1998)
Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
Bioorg Med Chem Lett 9: 1691-6 (1999)
BindingDB Entry DOI: 10.7270/Q20002K2 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI: 10.7270/Q2GB281X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 295-9 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KD9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP1) |
J Med Chem 46: 3840-52 (2003)
Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082965
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H37N5O4/c1-15(2)13-18(22(31)29-21(24(33)26-6)25(3,4)5)20(23(32)30-34)28-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,28,34H,13-14H2,1-6H3,(H,26,33)(H,29,31)(H,30,32)/t18-,20+,21-/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50071263
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratory
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA |
Bioorg Med Chem Lett 8: 3251-6 (1999)
BindingDB Entry DOI: 10.7270/Q289152J |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50043224
(3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23+,24+/m1/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase. |
J Med Chem 36: 4030-9 (1994)
BindingDB Entry DOI: 10.7270/Q2028QM3 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50071263
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 8: 2087-92 (1999)
BindingDB Entry DOI: 10.7270/Q2MW2G89 |
More data for this
Ligand-Target Pair | |
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