BDBM50297234 (S)-3-methyl-2-(4'-(3-methyl-4-morpholinobenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)butanoic acid::CHEMBL540723
SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N4CCOCC4)c3c2C)cc1)C(O)=O
InChI Key: InChIKey=KDBQSPNKNKKPEM-NDEPHWFRSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50297234 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 |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297234
((S)-3-methyl-2-(4'-(3-methyl-4-morpholinobenzofura...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N4CCOCC4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H33N3O7S/c1-19(2)28(31(36)37)33-42(38,39)24-13-9-22(10-14-24)21-7-11-23(12-8-21)32-30(35)29-20(3)27-25(5-4-6-26(27)41-29)34-15-17-40-18-16-34/h4-14,19,28,33H,15-18H2,1-3H3,(H,32,35)(H,36,37)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297234
((S)-3-methyl-2-(4'-(3-methyl-4-morpholinobenzofura...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N4CCOCC4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H33N3O7S/c1-19(2)28(31(36)37)33-42(38,39)24-13-9-22(10-14-24)21-7-11-23(12-8-21)32-30(35)29-20(3)27-25(5-4-6-26(27)41-29)34-15-17-40-18-16-34/h4-14,19,28,33H,15-18H2,1-3H3,(H,32,35)(H,36,37)/t28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this Ligand-Target Pair | |