Found 97 hits Enz. Inhib. hit(s) with all data for entry = 50030032 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290436
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | <0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50031790
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290448
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCCCCCCCCCCCO)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H49N3O5/c1-25(2,3)22(24(32)26-4)27-23(31)20(19-21(30)28-33)17-15-13-11-9-7-5-6-8-10-12-14-16-18-29/h20,22,29,33H,5-19H2,1-4H3,(H,26,32)(H,27,31)(H,28,30)/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290442
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C22H35N3O4/c1-3-4-5-6-7-11-14-18(16-20(26)25-29)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19,29H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290441
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C27H53N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(31)30-34)25(32)29-24(26(33)28-5)27(2,3)4/h22,24,34H,6-21H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t22-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290439
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H37N3O4/c1-6-7-8-9-10-11-12-14(13-15(23)22-26)17(24)21-16(18(25)20-5)19(2,3)4/h14,16,26H,6-13H2,1-5H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290449
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C25H49N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-21(29)28-32)23(30)27-22(24(31)26-5)25(2,3)4/h20,22,32H,6-19H2,1-5H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290433
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C23H37N3O4/c1-3-4-5-6-7-8-12-15-19(17-21(27)26-30)22(28)25-20(23(29)24-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-20,30H,3-8,12,15-17H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290450
((R)-2-Dodecyl-N*4*-hydroxy-N*1*-((S)-1-methylcarba...)Show SMILES CCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C26H43N3O4/c1-3-4-5-6-7-8-9-10-11-15-18-22(20-24(30)29-33)25(31)28-23(26(32)27-2)19-21-16-13-12-14-17-21/h12-14,16-17,22-23,33H,3-11,15,18-20H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290456
((R)-2-Heptyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbam...)Show SMILES CCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C21H33N3O4/c1-3-4-5-6-10-13-17(15-19(25)24-28)20(26)23-18(21(27)22-2)14-16-11-8-7-9-12-16/h7-9,11-12,17-18,28H,3-6,10,13-15H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t17-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290436
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Gelatinase B (MMP-9) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290453
((R)-2-Decyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)Show SMILES CCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C24H39N3O4/c1-3-4-5-6-7-8-9-13-16-20(18-22(28)27-31)23(29)26-21(24(30)25-2)17-19-14-11-10-12-15-19/h10-12,14-15,20-21,31H,3-9,13,16-18H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290440
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C24H47N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(28)27-31)22(29)26-21(23(30)25-5)24(2,3)4/h19,21,31H,6-18H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Matrilysin
(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
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant Matrilysin |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290438
((R)-2-Hexyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C20H31N3O4/c1-3-4-5-9-12-16(14-18(24)23-27)19(25)22-17(20(26)21-2)13-15-10-7-6-8-11-15/h6-8,10-11,16-17,27H,3-5,9,12-14H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)/t16-,17+/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50031790
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1 | PDB
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| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290446
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-24-23(29)20(15-18-11-6-3-7-12-18)25-22(28)19(16-21(27)26-30)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,19-20,30H,8,13-16H2,1H3,(H,24,29)(H,25,28)(H,26,27)/t19-,20+/m1/s1 | PDB
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PC sid
UniChem
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290436
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1 | PDB
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Reactome pathway
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PC cid
PC sid
UniChem
Patents
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| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Matrilysin
(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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| DrugBank
Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant Matrilysin |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50290438
((R)-2-Hexyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C20H31N3O4/c1-3-4-5-9-12-16(14-18(24)23-27)19(25)22-17(20(26)21-2)13-15-10-7-6-8-11-15/h6-8,10-11,16-17,27H,3-5,9,12-14H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)/t16-,17+/m1/s1 | PDB
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| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Stromelysin-1
(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
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| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50290453
((R)-2-Decyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)Show SMILES CCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C24H39N3O4/c1-3-4-5-6-7-8-9-13-16-20(18-22(28)27-31)23(29)26-21(24(30)25-2)17-19-14-11-10-12-15-19/h10-12,14-15,20-21,31H,3-9,13,16-18H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290457
((R)-2-Hexadecyl-N*4*-hydroxy-N*1*-((S)-1-methylcar...)Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C30H51N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(34)33-37)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27,37H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1 | PDB
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| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50290457
((R)-2-Hexadecyl-N*4*-hydroxy-N*1*-((S)-1-methylcar...)Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C30H51N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(34)33-37)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27,37H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant Matrilysin |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50031790
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290435
((R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylca...)Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C27H52N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(30)31)25(32)29-24(26(33)28-5)27(2,3)4/h22,24H,6-21H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t22-,24-/m1/s1 | PDB
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Reactome pathway
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290433
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C23H37N3O4/c1-3-4-5-6-7-8-12-15-19(17-21(27)26-30)22(28)25-20(23(29)24-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-20,30H,3-8,12,15-17H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290447
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C28H47N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(22-26(32)31-35)27(33)30-25(28(34)29-2)21-23-18-15-14-16-19-23/h14-16,18-19,24-25,35H,3-13,17,20-22H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290450
((R)-2-Dodecyl-N*4*-hydroxy-N*1*-((S)-1-methylcarba...)Show SMILES CCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C26H43N3O4/c1-3-4-5-6-7-8-9-10-11-15-18-22(20-24(30)29-33)25(31)28-23(26(32)27-2)19-21-16-13-12-14-17-21/h12-14,16-17,22-23,33H,3-11,15,18-20H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290456
((R)-2-Heptyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbam...)Show SMILES CCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C21H33N3O4/c1-3-4-5-6-10-13-17(15-19(25)24-28)20(26)23-18(21(27)22-2)14-16-11-8-7-9-12-16/h7-9,11-12,17-18,28H,3-6,10,13-15H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t17-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290455
((R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylca...)Show SMILES CCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C25H48N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-21(28)29)23(30)27-22(24(31)26-5)25(2,3)4/h20,22H,6-19H2,1-5H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290448
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCCCCCCCCCCCO)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H49N3O5/c1-25(2,3)22(24(32)26-4)27-23(31)20(19-21(30)28-33)17-15-13-11-9-7-5-6-8-10-12-14-16-18-29/h20,22,29,33H,5-19H2,1-4H3,(H,26,32)(H,27,31)(H,28,30)/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290443
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C30H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(33)34)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290440
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C24H47N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(28)27-31)22(29)26-21(23(30)25-5)24(2,3)4/h19,21,31H,6-18H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290449
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C25H49N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-21(29)28-32)23(30)27-22(24(31)26-5)25(2,3)4/h20,22,32H,6-19H2,1-5H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290438
((R)-2-Hexyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamo...)Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C20H31N3O4/c1-3-4-5-9-12-16(14-18(24)23-27)19(25)22-17(20(26)21-2)13-15-10-7-6-8-11-15/h6-8,10-11,16-17,27H,3-5,9,12-14H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)/t16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290447
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C28H47N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(22-26(32)31-35)27(33)30-25(28(34)29-2)21-23-18-15-14-16-19-23/h14-16,18-19,24-25,35H,3-13,17,20-22H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290445
((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...)Show SMILES CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C26H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(29)30)24(31)28-23(25(32)27-5)26(2,3)4/h21,23H,6-20H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t21-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290441
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C27H53N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(31)30-34)25(32)29-24(26(33)28-5)27(2,3)4/h22,24,34H,6-21H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t22-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290458
((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...)Show SMILES CCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C24H46N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(27)28)22(29)26-21(23(30)25-5)24(2,3)4/h19,21H,6-18H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290439
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H37N3O4/c1-6-7-8-9-10-11-12-14(13-15(23)22-26)17(24)21-16(18(25)20-5)19(2,3)4/h14,16,26H,6-13H2,1-5H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50290439
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H37N3O4/c1-6-7-8-9-10-11-12-14(13-15(23)22-26)17(24)21-16(18(25)20-5)19(2,3)4/h14,16,26H,6-13H2,1-5H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50290442
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C22H35N3O4/c1-3-4-5-6-7-11-14-18(16-20(26)25-29)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19,29H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290437
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)Show SMILES CCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C22H34N2O4/c1-3-4-5-6-7-11-14-18(16-20(25)26)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50290434
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)Show SMILES CCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C28H46N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(22-26(31)32)27(33)30-25(28(34)29-2)21-23-18-15-14-16-19-23/h14-16,18-19,24-25H,3-13,17,20-22H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2). |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS) |
Bioorg Med Chem Lett 7: 193-198 (1997)
Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG |
More data for this
Ligand-Target Pair | |
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