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BDBM27878 13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide::MMP Inhibitor, 7::hexahydrobenzothienopyrimidine, 2
SMILES: NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
InChI Key: InChIKey=ITADELAVAWJACR-UHFFFAOYSA-N
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Interstitial collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP7 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Stromelysin-1 (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | 6.0 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neutrophil collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Collagenase 3 (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | <25 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neutrophil collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 7.40 | 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 (crystal) | ||||||||||||
| Collagenase 3 (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | <25 | 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)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | 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 | |||||||||||||
| Interstitial collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | 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)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | 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-7 (MMP7) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | 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-9 (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | 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)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | 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)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | 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)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP3 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP2 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP9 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP12 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP14 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Interstitial collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo Curated by ChEMBL | Assay Description Inhibition of MMP1 (unknown origin) | J Med Chem 57: 10205-19 (2014) Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM27878 (13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Universita degli Studi | Assay Description Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr... | J Med Chem 52: 1040-9 (2009) Article DOI: 10.1021/jm801166j BindingDB Entry DOI: 10.7270/Q28S4N80 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
