BDBM50527355 CHEMBL4456585::US10829446, Compound 46

SMILES: Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F

InChI Key: InChIKey=QLXULUNLCRKWRD-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50527355   

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 KAT6A (Homo sapiens)	BDBM50527355 (CHEMBL4456585 | US10829446, Compound 46) Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
MONASH UNIVERSITY; The Walter and Eliza Hall Institute of Medical Research US Patent					Assay Description Active Moz protein was expressed as N-terminal fusion protein with a His6 tag in BL21 E. coli cells. Protein purification was performed via nickel-im...				US Patent US10829446 (2020)
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A (Homo sapiens)	BDBM50527355 (CHEMBL4456585 | US10829446, Compound 46) Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071
					More data for this Ligand-Target Pair