BDBM50396025 CHEMBL1089088

SMILES: CS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O

InChI Key: InChIKey=VXWHYQLJXLMKDT-WRFANHODSA-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 = 50396025   

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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396025 (CHEMBL1089088) Show SMILES CS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O |r,c:6,t:4| Show InChI InChI=1S/C17H22N2O5S2/c1-10(21)24-12-7-5-6-11-8-16(25-3)14(22)18(2)17(9-20,26-4)15(23)19(16)13(11)12/h5-7,12-13,20H,8-9H2,1-4H3/t12-,13-,16+,17+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of G9a				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1 (Homo sapiens (Human))	BDBM50396025 (CHEMBL1089088) Show SMILES CS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O |r,c:6,t:4| Show InChI InChI=1S/C17H22N2O5S2/c1-10(21)24-12-7-5-6-11-8-16(25-3)14(22)18(2)17(9-20,26-4)15(23)19(16)13(11)12/h5-7,12-13,20H,8-9H2,1-4H3/t12-,13-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SUV39H1				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair