BDBM311504 CHEM-US-00223::US10155764, Example 79

SMILES: COc1ccc(cc1)[C@@H]([C@H](C)Nc1nn(C)c(=O)c2ccccc12)N(C)C

InChI Key: InChIKey=KKTPWULYMLKJNJ-IFXJQAMLSA-N

Data: 1 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 1 hit for monomerid = 311504   

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 acetyltransferase KAT2B [719-832] (Homo sapiens (Human))	BDBM311504 (CHEM-US-00223 | US10155764, Example 79) Show SMILES COc1ccc(cc1)[C@@H]([C@H](C)Nc1nn(C)c(=O)c2ccccc12)N(C)C |r| Show InChI InChI=1S/C21H26N4O2/c1-14(19(24(2)3)15-10-12-16(27-5)13-11-15)22-20-17-8-6-7-9-18(17)21(26)25(4)23-20/h6-14,19H,1-5H3,(H,22,23)/t14-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...				US Patent US10155764 (2018) BindingDB Entry DOI: 10.7270/Q25M67T9
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