BDBM50096298 CHEMBL3585458

SMILES: Cc1cncc(c1C)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12

InChI Key: InChIKey=CEQLQUDAUGBFDP-UHFFFAOYSA-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 = 50096298   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50096298 (CHEMBL3585458) Show SMILES Cc1cncc(c1C)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12 Show InChI InChI=1S/C21H25N5O/c1-12-8-16-18(17-10-23-9-13(2)14(17)3)11-24-20(19(16)26-21(12)27)25-15-4-6-22-7-5-15/h8-11,15,22H,4-7H2,1-3H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50096298 (CHEMBL3585458) Show SMILES Cc1cncc(c1C)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12 Show InChI InChI=1S/C21H25N5O/c1-12-8-16-18(17-10-23-9-13(2)14(17)3)11-24-20(19(16)26-21(12)27)25-15-4-6-22-7-5-15/h8-11,15,22H,4-7H2,1-3H3,(H,24,25)(H,26,27)	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	1.59E+3	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