BDBM209484 US10328074, Example III-25::US9266891, III-25

SMILES: CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1

InChI Key: InChIKey=QHJUZMRVSGPOMP-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 = 209484   

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
BRD4 BD1 (aa 42-168) (Homo sapiens (Human))	BDBM209484 (US10328074, Example III-25 | US9266891, III-25) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1 Show InChI InChI=1S/C25H26N8O/c1-16-30-31-25-23(26-2)28-21(15-32(16)25)24-29-20-13-18(17-8-11-34-12-9-17)6-7-22(20)33(24)14-19-5-3-4-10-27-19/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3,(H,26,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...				Bioorg Med Chem 17: 7324-36 (2009) BindingDB Entry DOI: 10.7270/Q20Z75M2
					More data for this Ligand-Target Pair
BRD4-BD1 and Histone H4 (Homo sapiens (Human))	BDBM209484 (US10328074, Example III-25 | US9266891, III-25) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1 Show InChI InChI=1S/C25H26N8O/c1-16-30-31-25-23(26-2)28-21(15-32(16)25)24-29-20-13-18(17-8-11-34-12-9-17)6-7-22(20)33(24)14-19-5-3-4-10-27-19/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair