BDBM209464 US10328074, Example III-5::US9266891, III-5

SMILES: COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1

InChI Key: InChIKey=TUSWVDDMTVUGBQ-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 = 209464   

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))	BDBM209464 (US10328074, Example III-5 | US9266891, III-5) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31FN8O/c1-19-33-34-28-26(30-22-11-13-35(14-12-22)15-16-38-2)31-24(18-36(19)28)27-32-23-5-3-4-6-25(23)37(27)17-20-7-9-21(29)10-8-20/h3-10,18,22H,11-17H2,1-2H3,(H,30,31)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM209464 (US10328074, Example III-5 | US9266891, III-5) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31FN8O/c1-19-33-34-28-26(30-22-11-13-35(14-12-22)15-16-38-2)31-24(18-36(19)28)27-32-23-5-3-4-6-25(23)37(27)17-20-7-9-21(29)10-8-20/h3-10,18,22H,11-17H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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