BDBM24813 Brassinin, 1::N-(1H-indol-3-ylmethyl)(methylsulfanyl)carbothioamide::methyl N-(1H-indol-3-ylmethyl)carbamodithioate
SMILES: CSC(=S)NCc1c[nH]c2ccccc12
InChI Key: InChIKey=QYKQWFZDEDFELK-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM24813 (Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur Curated by ChEMBL | Assay Description Inhibition of IDO | Bioorg Med Chem 19: 1550-61 (2011) Article DOI: 10.1016/j.bmc.2010.12.032 BindingDB Entry DOI: 10.7270/Q27M087F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM24813 (Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 9.77E+4 | -5.69 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
Bryn Mawr College | Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr... | J Med Chem 49: 684-92 (2006) Article DOI: 10.1021/jm0508888 BindingDB Entry DOI: 10.7270/Q2QR4VDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM24813 (Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toho University Curated by ChEMBL | Assay Description Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis | Bioorg Med Chem 21: 1159-65 (2013) Article DOI: 10.1016/j.bmc.2012.12.028 BindingDB Entry DOI: 10.7270/Q2RX9DDH | |||||||||||
More data for this Ligand-Target Pair |