BDBM50320426 CHEMBL1083291::cis-4-(4-(4-(3,5-dimethylmorpholine-4-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
SMILES: C[C@H]1COC[C@@H](C)N1C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
InChI Key: InChIKey=BKCSZOHESJTBQU-HDICACEKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50320426 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320426
(CHEMBL1083291 | cis-4-(4-(4-(3,5-dimethylmorpholin...)Show SMILES C[C@H]1COC[C@@H](C)N1C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO |r| Show InChI InChI=1S/C24H35N3O7S/c1-17-15-34-16-18(2)27(17)22(28)19-7-11-26(12-8-19)20-3-5-21(6-4-20)35(31,32)24(23(29)25-30)9-13-33-14-10-24/h3-6,17-19,30H,7-16H2,1-2H3,(H,25,29)/t17-,18+ | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50320426
(CHEMBL1083291 | cis-4-(4-(4-(3,5-dimethylmorpholin...)Show SMILES C[C@H]1COC[C@@H](C)N1C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO |r| Show InChI InChI=1S/C24H35N3O7S/c1-17-15-34-16-18(2)27(17)22(28)19-7-11-26(12-8-19)20-3-5-21(6-4-20)35(31,32)24(23(29)25-30)9-13-33-14-10-24/h3-6,17-19,30H,7-16H2,1-2H3,(H,25,29)/t17-,18+ | 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 |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |