BDBM50282164 CHEMBL4164708

SMILES: COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O

InChI Key: InChIKey=AETJYYFBSYAFDG-GKKOWRRISA-O

Data: 1 Kd

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 3 hits for monomerid = 50282164   

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))	BDBM50282164 (CHEMBL4164708) Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O |r| Show InChI InChI=1S/C33H56N10O7/c1-21(32(49)50-5)39-31(48)26(20-22-12-7-6-8-13-22)42-30(47)24(14-9-10-19-43(2,3)4)41-29(46)25(15-11-18-38-33(36)37)40-28(45)23(34)16-17-27(35)44/h6-8,12-13,21,23-26H,9-11,14-20,34H2,1-5H3,(H9-,35,36,37,38,39,40,41,42,44,45,46,47,48)/p+1/t21-,23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50282164 (CHEMBL4164708) Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O |r| Show InChI InChI=1S/C33H56N10O7/c1-21(32(49)50-5)39-31(48)26(20-22-12-7-6-8-13-22)42-30(47)24(14-9-10-19-43(2,3)4)41-29(46)25(15-11-18-38-33(36)37)40-28(45)23(34)16-17-27(35)44/h6-8,12-13,21,23-26H,9-11,14-20,34H2,1-5H3,(H9-,35,36,37,38,39,40,41,42,44,45,46,47,48)/p+1/t21-,23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		n/a	n/a	1.48E+4	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))	BDBM50282164 (CHEMBL4164708) Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O |r| Show InChI InChI=1S/C33H56N10O7/c1-21(32(49)50-5)39-31(48)26(20-22-12-7-6-8-13-22)42-30(47)24(14-9-10-19-43(2,3)4)41-29(46)25(15-11-18-38-33(36)37)40-28(45)23(34)16-17-27(35)44/h6-8,12-13,21,23-26H,9-11,14-20,34H2,1-5H3,(H9-,35,36,37,38,39,40,41,42,44,45,46,47,48)/p+1/t21-,23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair