BDBM92445 Inhibitor, 10::US8691753, 105
SMILES: NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
InChI Key: InChIKey=KDDWLGBIYXTPJG-FQEVSTJZSA-N
Data: 20 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.60 | -11.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 3.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 113 | -9.47 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 203 | -9.12 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 377 | -8.76 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 377 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 603 | -8.48 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 14 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | MMDB Reactome pathway B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 10 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.63E+3 | -7.61 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.00E+3 | -7.53 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.01E+3 | -7.53 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 10 (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.11E+3 | -7.51 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.20E+3 | -7.62 | n/a | n/a | n/a | n/a | n/a | 6.8 | 37 |
Commissariat á l'Energie Atomique | Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. | J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM92445 (Inhibitor, 10 | US8691753, 105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent | Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ... | US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q | |||||||||||
More data for this Ligand-Target Pair |