BDBM223985 rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine (2)
SMILES: CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12
InChI Key: InChIKey=MJNFUMWCOKCILM-OFNKIYASSA-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 |
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Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 4 | -11.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc. | Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... | Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Binding affinity to GST tagged EED (unknown origin) after 1 hr by OG(488) probe based TR-FRET assay | J Med Chem 60: 8321-8335 (2017) Article DOI: 10.1021/acs.jmedchem.7b00576 BindingDB Entry DOI: 10.7270/Q2TM7D8G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay | Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description The compound was tested for the inhibition of fibrinogen receptor | J Med Chem 60: 8321-8335 (2017) Article DOI: 10.1021/acs.jmedchem.7b00576 BindingDB Entry DOI: 10.7270/Q2TM7D8G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of EED in human G401 cells assessed as reduction in H3K27 trymethylation measured after 6 days by alphaLISA method | Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of EED in human OCILY19 cells assessed as reduction in H3K27 trymethylation measured after 6 days by alphaLISA method | Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG | |||||||||||
More data for this Ligand-Target Pair |