BDBM50104004 4-Benzylsulfanyl-2-[[(dicyclohexylmethyl-carbamoyl)-methyl]-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-butyramide::CHEMBL322619
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(C1CCCCC1)C1CCCCC1)C(CCSCc1ccccc1)C(=O)NO
InChI Key: InChIKey=FCHACJJPJSMUHO-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50104004 (4-Benzylsulfanyl-2-[[(dicyclohexylmethyl-carbamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.80 | 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 | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50104004 (4-Benzylsulfanyl-2-[[(dicyclohexylmethyl-carbamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90 | 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 |