BDBM50149636 CHEMBL3770249::US10273223, Compound B-118::US9637472, Compound B-118

SMILES: COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1

InChI Key: InChIKey=POUAFZQJTHQPGD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50149636   

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
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50149636 (CHEMBL3770249 | US10273223, Compound B-118 | US963...) Show SMILES COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1 Show InChI InChI=1S/C19H23N5O3/c1-10(2)24-17-15(9-21-24)13(7-16(23-17)27-5)18(25)20-8-14-11(3)6-12(4)22-19(14)26/h6-7,9-10H,8H2,1-5H3,(H,20,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Curated by ChEMBL					Assay Description Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay				J Med Chem 59: 1556-64 (2016) BindingDB Entry DOI: 10.7270/Q2B56MM7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50149636 (CHEMBL3770249 | US10273223, Compound B-118 | US963...) Show SMILES COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1 Show InChI InChI=1S/C19H23N5O3/c1-10(2)24-17-15(9-21-24)13(7-16(23-17)27-5)18(25)20-8-14-11(3)6-12(4)22-19(14)26/h6-7,9-10H,8H2,1-5H3,(H,20,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description eneral Procedure for Wild-Type PRC2 Enzyme Assay on Oligonucleosome Substrate. The assays was performed in a buffer consisting of 20 mM bicine (pH=7....				J Med Chem 51: 2350-3 (2008) BindingDB Entry DOI: 10.7270/Q28P62V9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50149636 (CHEMBL3770249 | US10273223, Compound B-118 | US963...) Show SMILES COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1 Show InChI InChI=1S/C19H23N5O3/c1-10(2)24-17-15(9-21-24)13(7-16(23-17)27-5)18(25)20-8-14-11(3)6-12(4)22-19(14)26/h6-7,9-10H,8H2,1-5H3,(H,20,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...				US Patent US9637472 (2017) BindingDB Entry DOI: 10.7270/Q2X0693B
					More data for this Ligand-Target Pair