null
SMILES: CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO
InChI Key: InChIKey=DFSJOYHCSMRYOD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50028940 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-9
(Homo sapiens (Human)) | BDBM50028940
(CHEMBL3359657)Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29) | 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 | 44 | 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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50028940
(CHEMBL3359657)Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29) | 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 | 1.70 | 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 | |