Found 8 hits for monomerid = 50379536 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 |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal catalytic domain using MCA-KKVYPYPME-Dap(Dnp)-NH2 as substrate after 4... |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-12 (MMP12)
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of MMP-12 using OmniMMP as substrate |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of MMP-9 using OmniMMP as substrate |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of MMP-1 using OmniMMP as substrate |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14 (MMP14)
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of MMP-14 using OmniMMP as substrate |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of MMP-3 using OmniMMP as substrate |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50379536
(CHEMBL2012836)Show SMILES CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
PanThera Biopharma, LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2242-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q |
More data for this Ligand-Target Pair | |