BDBM45650 (3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione 3-[N-(2-fluorophenyl)thiosemicarbazone]::1-(2-fluorophenyl)-3-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea::1-(2-fluorophenyl)-3-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea::1-(2-fluorophenyl)-3-[(Z)-[5-(4-morpholinylsulfonyl)-2-oxo-1-prop-2-enyl-3-indolylidene]amino]thiourea::1-[(Z)-(1-allyl-2-keto-5-morpholinosulfonyl-indolin-3-ylidene)amino]-3-(2-fluorophenyl)thiourea::MLS000673604::SMR000314845::cid_16194608
SMILES: Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1
InChI Key: InChIKey=REWYLEITUFMHNR-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Importin subunit alpha-1 (Homo sapiens (Human)) | BDBM45650 ((3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q280513R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XII (Homo sapiens (Human)) | BDBM45650 ((3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS | |||||||||||
More data for this Ligand-Target Pair |