BDBM223984 rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine (1)
SMILES: COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C
InChI Key: InChIKey=CXQQECCQTKSQKN-IRLDBZIGSA-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)) | BDBM223984 (rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 600 | 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 | 3D Structure (crystal) | ||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223984 (rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB | 600 | 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 | 3D Structure (crystal) | ||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223984 (rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 600 | 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 | 3D Structure (crystal) | ||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223984 (rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 1.20E+3 | -8.07 | 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 | 3D Structure (crystal) | ||||||||||||
Polycomb protein EED (Homo sapiens (Human)) | BDBM223984 (rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 3.80E+4 | 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 | 3D Structure (crystal) |