BDBM97320 (E,7S)-N-[(E,2E)-2-(chloranylmethylidene)-4-methoxy-6-(3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-oxidanylidene-hex-4-enyl]-7-methoxy-N-methyl-tetradec-4-enamide::(E,7S)-N-[(E,2E)-2-(chloromethylene)-6-keto-6-(2-keto-4-methoxy-3-pyrrolin-1-yl)-4-methoxy-hex-4-enyl]-7-methoxy-N-methyl-tetradec-4-enamide::(E,7S)-N-[(E,2E)-2-(chloromethylidene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-7-methoxy-N-methyl-4-tetradecenamide::(E,7S)-N-[(E,2E)-2-(chloromethylidene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide::MLS002539534::Malyngamide A::SMR001453682::cid_14779548
SMILES: CCCCCCC[C@@H](C\C=C\CCC(=O)N(C)C\C(C\C(OC)=C/C(=O)N1CC(OC)=CC1=O)=C\Cl)OC
InChI Key: InChIKey=MCGPGUSLTPAGCR-RPPVKKOJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Steroidogenic factor 1 (Homo sapiens (Human)) | BDBM97320 ((E,7S)-N-[(E,2E)-2-(chloranylmethylidene)-4-methox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >6.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZG6QV9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 0 group B member 1 (Homo sapiens (Human)) | BDBM97320 ((E,7S)-N-[(E,2E)-2-(chloranylmethylidene)-4-methox...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >278 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23777B0 | ||||||||||||
More data for this Ligand-Target Pair |