BDBM50303776 CHEMBL568525::N-((6S,9S,12S)-1,17-diamino-6-(4-carbamimidoylbenzylcarbamoyl)-1,17-diimino-9-isopropyl-8,11-dioxo-2,7,10,16-tetraazaheptadecan-12-yl)decanamide
SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7]
InChI Key: InChIKey=QMAXHSLPLMYIPN-YCVJPRETSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA (Homo sapiens (Human)) | BDBM50303776 (CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human furin by fluorescence assay | J Med Chem 53: 1067-75 (2010) Article DOI: 10.1021/jm9012455 BindingDB Entry DOI: 10.7270/Q2DN455Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Subtilisin/kexin type 6 (Homo sapiens (Human)) | BDBM50303776 (CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human PACE4 expressed in Drosophila schneider 2 cells by fluorescence assay | J Med Chem 53: 1067-75 (2010) Article DOI: 10.1021/jm9012455 BindingDB Entry DOI: 10.7270/Q2DN455Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prohormone convertase 1 (Homo sapiens (Human)) | BDBM50303776 (CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human PC1/3 expressed in Drosophila schneider 2 cells by fluorescence assay | J Med Chem 53: 1067-75 (2010) Article DOI: 10.1021/jm9012455 BindingDB Entry DOI: 10.7270/Q2DN455Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Subtilisin/kexin type 5 (Homo sapiens (Human)) | BDBM50303776 (CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human PC5/6 expressed in Drosophila schneider 2 cells by fluorescence assay | J Med Chem 53: 1067-75 (2010) Article DOI: 10.1021/jm9012455 BindingDB Entry DOI: 10.7270/Q2DN455Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prohormone convertase 2 (Homo sapiens (Human)) | BDBM50303776 (CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay | J Med Chem 53: 1067-75 (2010) Article DOI: 10.1021/jm9012455 BindingDB Entry DOI: 10.7270/Q2DN455Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Subtilisin/kexin type 7 (Homo sapiens (Human)) | BDBM50303776 (CHEMBL568525 | N-((6S,9S,12S)-1,17-diamino-6-(4-ca...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 968 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human PC7 expressed in Drosophila schneider 2 cells by fluorescence assay | J Med Chem 53: 1067-75 (2010) Article DOI: 10.1021/jm9012455 BindingDB Entry DOI: 10.7270/Q2DN455Q | |||||||||||
More data for this Ligand-Target Pair |