Found 17 hits for monomerid = 50362092 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 |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP3 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14 (MMP14)
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-12 (MMP12)
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/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 | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-19
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP19 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/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 | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-12 (MMP12)
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MMP1 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50362092
(CHEMBL1940308)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)| Show InChI InChI=1S/C28H33N3O3/c1-30-16-13-24(14-17-30)29-27(32)22-4-8-26(9-5-22)34-25-6-2-21(3-7-25)10-15-28(33)20-31-18-11-23(28)12-19-31/h2-9,23-24,33H,11-14,16-20H2,1H3,(H,29,32)/t28-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this Ligand-Target Pair | |