BDBM50236017 CHEMBL4070157

SMILES: C(Nc1ncc(-c2ccccc2)c2cncn12)c1ccco1

InChI Key: InChIKey=LLWMRHSBKUBVRZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50236017   

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
Polycomb protein EED (Homo sapiens (Human))	BDBM50236017 (CHEMBL4070157) Show SMILES C(Nc1ncc(-c2ccccc2)c2cncn12)c1ccco1 Show InChI InChI=1S/C17H14N4O/c1-2-5-13(6-3-1)15-10-20-17(21-12-18-11-16(15)21)19-9-14-7-4-8-22-14/h1-8,10-12H,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 mins before biotin-H3K27me3 (19 to 33 residues) addition and further inc...				J Med Chem 63: 7252-7267 (2020)
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50236017 (CHEMBL4070157) Show SMILES C(Nc1ncc(-c2ccccc2)c2cncn12)c1ccco1 Show InChI InChI=1S/C17H14N4O/c1-2-5-13(6-3-1)15-10-20-17(21-12-18-11-16(15)21)19-9-14-7-4-8-22-14/h1-8,10-12H,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)				J Med Chem 60: 2215-2226 (2017) Article DOI: 10.1021/acs.jmedchem.6b01576 BindingDB Entry DOI: 10.7270/Q20G3NDT
					More data for this Ligand-Target Pair