BDBM33622 2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]glutaric acid::2-[(5Z)-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid::2-[(5Z)-5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid::2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid::MLS000105064::SMR000054993::cid_2769925
SMILES: CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
InChI Key: InChIKey=DNTNVUFHTFVOQF-SEYXRHQNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
N-formyl peptide receptor 2 (Homo sapiens (Human)) | BDBM33622 (2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | >4.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
fMet-Leu-Phe receptor (Homo sapiens (Human)) | BDBM33622 (2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | >4.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NZ862K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 5 (Homo sapiens (Human)) | BDBM33622 (2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.76E+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/Q2GH9GC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-formyl peptide receptor 2 (Homo sapiens (Human)) | BDBM33622 (2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM33622 (2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...) | 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 | 7.5 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
fMet-Leu-Phe receptor (Homo sapiens (Human)) | BDBM33622 (2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J67FB5 | |||||||||||
More data for this Ligand-Target Pair |