BDBM50093453 CHEMBL3586706

SMILES: Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O

InChI Key: InChIKey=LKRNKHYOTDIJLI-YWGVVOLTSA-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 = 50093453   

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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50093453 (CHEMBL3586706) Show SMILES Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...				J Med Chem 58: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50093453 (CHEMBL3586706) Show SMILES Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis				J Med Chem 58: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
					More data for this Ligand-Target Pair