BDBM50103994 2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benzenesulfonyl)-amino]-4-benzylsulfanyl-N-hydroxy-butyramide::CHEMBL420656
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C(CCSCc1ccccc1)C(=O)NO
InChI Key: InChIKey=WHTRIFCXCJYQKX-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM50103994 (2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-9 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50103994 (2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-2 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50103994 (2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-13 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50103994 (2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-3 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair |