BDBM311503 CHEM-US-00222::US10155764, Example 78

SMILES: C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(OCC2CC2)cc1

InChI Key: InChIKey=XOKAPKFGCKMEII-KSFYIVLOSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311503   

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))	BDBM311503 (CHEM-US-00222 | US10155764, Example 78) Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(OCC2CC2)cc1 |r| Show InChI InChI=1S/C24H30N4O2/c1-16(25-23-20-7-5-6-8-21(20)24(29)28(4)26-23)22(27(2)3)18-11-13-19(14-12-18)30-15-17-9-10-17/h5-8,11-14,16-17,22H,9-10,15H2,1-4H3,(H,25,26)/t16-,22+/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	44	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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