Found 75 hits of Enzyme Inhibition Constant Data 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 |
|---|
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-12 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50129994
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50129987
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H42ClN2O5P/c1-33(2,3)30(32(38)35-4)36-31(37)27(17-14-23-15-18-28(34)19-16-23)22-42(39,40)21-25-12-10-24(11-13-25)20-26-8-6-7-9-29(26)41-5/h6-13,15-16,18-19,27,30H,14,17,20-22H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t27?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50129994
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-12 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129990
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1cccc(C)c1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-10-9-13-26(20-24)18-19-29(31(36)35-30(32(37)34-5)33(2,3)4)23-40(38,39)22-28-16-14-27(15-17-28)21-25-11-7-6-8-12-25/h6-17,20,29-30H,18-19,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129987
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H42ClN2O5P/c1-33(2,3)30(32(38)35-4)36-31(37)27(17-14-23-15-18-28(34)19-16-23)22-42(39,40)21-25-12-10-24(11-13-25)20-26-8-6-7-9-29(26)41-5/h6-13,15-16,18-19,27,30H,14,17,20-22H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t27?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50129987
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H42ClN2O5P/c1-33(2,3)30(32(38)35-4)36-31(37)27(17-14-23-15-18-28(34)19-16-23)22-42(39,40)21-25-12-10-24(11-13-25)20-26-8-6-7-9-29(26)41-5/h6-13,15-16,18-19,27,30H,14,17,20-22H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t27?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-12 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50129987
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H42ClN2O5P/c1-33(2,3)30(32(38)35-4)36-31(37)27(17-14-23-15-18-28(34)19-16-23)22-42(39,40)21-25-12-10-24(11-13-25)20-26-8-6-7-9-29(26)41-5/h6-13,15-16,18-19,27,30H,14,17,20-22H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t27?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50129994
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129994
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129998
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(C)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-13-25(14-12-24)19-20-29(31(36)35-30(32(37)34-5)33(2,3)4)23-40(38,39)22-28-17-15-27(16-18-28)21-26-9-7-6-8-10-26/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130006
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(OC)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(18-15-24-16-19-29(40-5)20-17-24)23-41(38,39)22-27-13-11-26(12-14-27)21-25-9-7-6-8-10-25/h6-14,16-17,19-20,28,30H,15,18,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-12 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130007
((4-Benzyl-benzyl)-[4-(4-bromo-phenyl)-2-((S)-2,2-d...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Br)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40BrN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129999
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1F)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(19-18-26-12-8-9-13-28(26)33)22-40(38,39)21-25-16-14-24(15-17-25)20-23-10-6-5-7-11-23/h5-17,27,29H,18-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129991
(CHEMBL77667 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CCOc1ccccc1Cc1ccc(CP(O)(=O)CC(CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C34H45N2O5P/c1-6-41-30-15-11-10-14-28(30)22-26-16-18-27(19-17-26)23-42(39,40)24-29(21-20-25-12-8-7-9-13-25)32(37)36-31(33(38)35-5)34(2,3)4/h7-19,29,31H,6,20-24H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50129993
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t21?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130002
(CHEMBL77128 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CCc1ccccc1Cc1ccc(CP(O)(=O)CC(CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C34H45N2O4P/c1-6-28-14-10-11-15-29(28)22-26-16-18-27(19-17-26)23-41(39,40)24-30(21-20-25-12-8-7-9-13-25)32(37)36-31(33(38)35-5)34(2,3)4/h7-19,30-31H,6,20-24H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t30?,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130000
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(F)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129984
(CHEMBL307494 | [4-(2-Chloro-benzyl)-benzyl]-[2-((S...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2Cl)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(19-18-23-10-6-5-7-11-23)22-40(38,39)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33/h5-17,27,29H,18-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129989
(CHEMBL310270 | [2-((S)-2,2-Dimethyl-1-methylcarbam...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2F)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(19-18-23-10-6-5-7-11-23)22-40(38,39)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33/h5-17,27,29H,18-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129992
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1cccc(F)c1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(18-17-24-11-8-12-28(33)20-24)22-40(38,39)21-26-15-13-25(14-16-26)19-23-9-6-5-7-10-23/h5-16,20,27,29H,17-19,21-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129997
(CHEMBL78031 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2C)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-9-10-14-28(24)21-26-15-17-27(18-16-26)22-40(38,39)23-29(20-19-25-12-7-6-8-13-25)31(36)35-30(32(37)34-5)33(2,3)4/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130004
(CHEMBL78066 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccc(C)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-13-26(14-12-24)21-27-15-17-28(18-16-27)22-40(38,39)23-29(20-19-25-9-7-6-8-10-25)31(36)35-30(32(37)34-5)33(2,3)4/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129988
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C34H45N2O5P/c1-34(2,3)31(33(38)35-4)36-32(37)29(15-11-12-22-41-30-16-9-6-10-17-30)25-42(39,40)24-28-20-18-27(19-21-28)23-26-13-7-5-8-14-26/h5-10,13-14,16-21,29,31H,11-12,15,22-25H2,1-4H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129995
(CHEMBL77666 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2C(F)(F)F)cc1)C(C)(C)C Show InChI InChI=1S/C33H40F3N2O4P/c1-32(2,3)29(31(40)37-4)38-30(39)27(19-18-23-10-6-5-7-11-23)22-43(41,42)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33(34,35)36/h5-17,27,29H,18-22H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129996
(CHEMBL308523 | [2-((S)-2,2-Dimethyl-1-methylcarbam...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2cccc(C)c2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-10-9-13-28(20-24)21-26-14-16-27(17-15-26)22-40(38,39)23-29(19-18-25-11-7-6-8-12-25)31(36)35-30(32(37)34-5)33(2,3)4/h6-17,20,29-30H,18-19,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130001
(CHEMBL78102 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2cccc(OC)c2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(19-18-24-10-7-6-8-11-24)23-41(38,39)22-26-16-14-25(15-17-26)20-27-12-9-13-29(21-27)40-5/h6-17,21,28,30H,18-20,22-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130008
(CHEMBL74954 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccc(F)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-8-6-5-7-9-23)22-40(38,39)21-26-12-10-24(11-13-26)20-25-15-18-28(33)19-16-25/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129985
(CHEMBL420758 | [2-((S)-2,2-Dimethyl-1-methylcarbam...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccc(OC)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(18-15-24-9-7-6-8-10-24)23-41(38,39)22-27-13-11-25(12-14-27)21-26-16-19-29(40-5)20-17-26/h6-14,16-17,19-20,28,30H,15,18,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130003
(CHEMBL78111 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2cccc(F)c2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(18-17-23-9-6-5-7-10-23)22-40(38,39)21-25-15-13-24(14-16-25)19-26-11-8-12-28(33)20-26/h5-16,20,27,29H,17-19,21-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129983
((4-Benzyl-benzyl)-{2-[(S)-2-(4-methoxy-phenyl)-1-m...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C38H45N2O6P/c1-39-38(42)36(26-31-20-22-34(45-2)23-21-31)40-37(41)33(13-9-10-24-46-35-14-7-4-8-15-35)28-47(43,44)27-32-18-16-30(17-19-32)25-29-11-5-3-6-12-29/h3-8,11-12,14-23,33,36H,9-10,13,24-28H2,1-2H3,(H,39,42)(H,40,41)(H,43,44)/t33?,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50129993
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t21?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-12 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50129993
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t21?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129990
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1cccc(C)c1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-10-9-13-26(20-24)18-19-29(31(36)35-30(32(37)34-5)33(2,3)4)23-40(38,39)22-28-16-14-27(15-17-28)21-25-11-7-6-8-12-25/h6-17,20,29-30H,18-19,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50129993
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t21?,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129999
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1F)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(19-18-26-12-8-9-13-28(26)33)22-40(38,39)21-25-16-14-24(15-17-25)20-23-10-6-5-7-11-23/h5-17,27,29H,18-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50130005
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1C)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-9-10-14-28(24)19-20-29(31(36)35-30(32(37)34-5)33(2,3)4)23-40(38,39)22-27-17-15-26(16-18-27)21-25-12-7-6-8-13-25/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-13 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130002
(CHEMBL77128 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CCc1ccccc1Cc1ccc(CP(O)(=O)CC(CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C34H45N2O4P/c1-6-28-14-10-11-15-29(28)22-26-16-18-27(19-17-26)23-41(39,40)24-30(21-20-25-12-8-7-9-13-25)32(37)36-31(33(38)35-5)34(2,3)4/h7-19,30-31H,6,20-24H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t30?,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129984
(CHEMBL307494 | [4-(2-Chloro-benzyl)-benzyl]-[2-((S...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2Cl)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(19-18-23-10-6-5-7-11-23)22-40(38,39)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33/h5-17,27,29H,18-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130000
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(F)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129991
(CHEMBL77667 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CCOc1ccccc1Cc1ccc(CP(O)(=O)CC(CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C34H45N2O5P/c1-6-41-30-15-11-10-14-28(30)22-26-16-18-27(19-17-26)23-42(39,40)24-29(21-20-25-12-8-7-9-13-25)32(37)36-31(33(38)35-5)34(2,3)4/h7-19,29,31H,6,20-24H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129998
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(C)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-13-25(14-12-24)19-20-29(31(36)35-30(32(37)34-5)33(2,3)4)23-40(38,39)22-28-17-15-27(16-18-28)21-26-9-7-6-8-10-26/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129995
(CHEMBL77666 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2C(F)(F)F)cc1)C(C)(C)C Show InChI InChI=1S/C33H40F3N2O4P/c1-32(2,3)29(31(40)37-4)38-30(39)27(19-18-23-10-6-5-7-11-23)22-43(41,42)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33(34,35)36/h5-17,27,29H,18-22H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129989
(CHEMBL310270 | [2-((S)-2,2-Dimethyl-1-methylcarbam...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2F)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(19-18-23-10-6-5-7-11-23)22-40(38,39)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33/h5-17,27,29H,18-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129994
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50129994
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129992
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1cccc(F)c1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(18-17-24-11-8-12-28(33)20-24)22-40(38,39)21-26-15-13-25(14-16-26)19-23-9-6-5-7-10-23/h5-16,20,27,29H,17-19,21-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130008
(CHEMBL74954 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccc(F)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-8-6-5-7-9-23)22-40(38,39)21-26-12-10-24(11-13-26)20-25-15-18-28(33)19-16-25/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129997
(CHEMBL78031 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2C)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-9-10-14-28(24)21-26-15-17-27(18-16-26)22-40(38,39)23-29(20-19-25-12-7-6-8-13-25)31(36)35-30(32(37)34-5)33(2,3)4/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129987
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H42ClN2O5P/c1-33(2,3)30(32(38)35-4)36-31(37)27(17-14-23-15-18-28(34)19-16-23)22-42(39,40)21-25-12-10-24(11-13-25)20-26-8-6-7-9-29(26)41-5/h6-13,15-16,18-19,27,30H,14,17,20-22H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t27?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130007
((4-Benzyl-benzyl)-[4-(4-bromo-phenyl)-2-((S)-2,2-d...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Br)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40BrN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130004
(CHEMBL78066 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccc(C)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-13-26(14-12-24)21-27-15-17-28(18-16-27)22-40(38,39)23-29(20-19-25-9-7-6-8-10-25)31(36)35-30(32(37)34-5)33(2,3)4/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130003
(CHEMBL78111 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2cccc(F)c2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(18-17-23-9-6-5-7-10-23)22-40(38,39)21-25-15-13-24(14-16-25)19-26-11-8-12-28(33)20-26/h5-16,20,27,29H,17-19,21-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50129987
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C Show InChI InChI=1S/C33H42ClN2O5P/c1-33(2,3)30(32(38)35-4)36-31(37)27(17-14-23-15-18-28(34)19-16-23)22-42(39,40)21-25-12-10-24(11-13-25)20-26-8-6-7-9-29(26)41-5/h6-13,15-16,18-19,27,30H,14,17,20-22H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t27?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130006
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(OC)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(18-15-24-16-19-29(40-5)20-17-24)23-41(38,39)22-27-13-11-26(12-14-27)21-25-9-7-6-8-10-25/h6-14,16-17,19-20,28,30H,15,18,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129996
(CHEMBL308523 | [2-((S)-2,2-Dimethyl-1-methylcarbam...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2cccc(C)c2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-10-9-13-28(20-24)21-26-14-16-27(17-15-26)22-40(38,39)23-29(19-18-25-11-7-6-8-12-25)31(36)35-30(32(37)34-5)33(2,3)4/h6-17,20,29-30H,18-19,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50129993
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t21?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130001
(CHEMBL78102 | [2-((S)-2,2-Dimethyl-1-methylcarbamo...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2cccc(OC)c2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(19-18-24-10-7-6-8-11-24)23-41(38,39)22-26-16-14-25(15-17-26)20-27-12-9-13-29(21-27)40-5/h6-17,21,28,30H,18-20,22-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129985
(CHEMBL420758 | [2-((S)-2,2-Dimethyl-1-methylcarbam...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccc(OC)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(18-15-24-9-7-6-8-10-24)23-41(38,39)22-27-13-11-25(12-14-27)21-26-16-19-29(40-5)20-17-26/h6-14,16-17,19-20,28,30H,15,18,21-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50130005
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1C)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C33H43N2O4P/c1-24-11-9-10-14-28(24)19-20-29(31(36)35-30(32(37)34-5)33(2,3)4)23-40(38,39)22-27-17-15-26(16-18-27)21-25-12-7-6-8-13-25/h6-18,29-30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129983
((4-Benzyl-benzyl)-{2-[(S)-2-(4-methoxy-phenyl)-1-m...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C38H45N2O6P/c1-39-38(42)36(26-31-20-22-34(45-2)23-21-31)40-37(41)33(13-9-10-24-46-35-14-7-4-8-15-35)28-47(43,44)27-32-18-16-30(17-19-32)25-29-11-5-3-6-12-29/h3-8,11-12,14-23,33,36H,9-10,13,24-28H2,1-2H3,(H,39,42)(H,40,41)(H,43,44)/t33?,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50129988
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C34H45N2O5P/c1-34(2,3)31(33(38)35-4)36-32(37)29(15-11-12-22-41-30-16-9-6-10-17-30)25-42(39,40)24-28-20-18-27(19-21-28)23-26-13-7-5-8-14-26/h5-10,13-14,16-21,29,31H,11-12,15,22-25H2,1-4H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-1 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this
Ligand-Target Pair | |
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