BDBM311486 CHEM-US-00192::US10155764, Example 65B

SMILES: C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1

InChI Key: InChIKey=OFKKYVMUDLMESU-DYVFJYSZSA-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 = 311486   

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
PCAF (aa 719-832) (Homo sapiens (Human))	BDBM311486 (CHEM-US-00192 | US10155764, Example 65B) Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM311486 (CHEM-US-00192 | US10155764, Example 65B) Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of biotinylated ligand binding to FLAG epitope-fused/His-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) measured after 15 ...				J Med Chem 62: 4526-4542 (2019) Article DOI: 10.1021/acs.jmedchem.9b00096
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM311486 (CHEM-US-00192 | US10155764, Example 65B) Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair