BDBM50502825 CHEMBL4446278
SMILES: FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1
InChI Key: InChIKey=GVDJHTZUKVHPER-ROUUACIJSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cruzipain (Trypanosoma cruzi) | BDBM50502825![]() (CHEMBL4446278) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ... | Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50502825![]() (CHEMBL4446278) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50502825![]() (CHEMBL4446278) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo Curated by ChEMBL | Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi... | Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM50502825![]() (CHEMBL4446278) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ... | Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 | |||||||||||
More data for this Ligand-Target Pair |