BDBM209460 US10328074, Example III-1::US9266891, III-1

SMILES: CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1

InChI Key: InChIKey=SJLGONPWSYKHIB-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 3 hits for monomerid = 209460   

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 and Histone H4 (Homo sapiens (Human))	BDBM209460 (US10328074, Example III-1 | US9266891, III-1) Show SMILES CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C26H28N8/c1-18-30-31-26-24(27-20-12-14-32(2)15-13-20)28-22(17-33(18)26)25-29-21-10-6-7-11-23(21)34(25)16-19-8-4-3-5-9-19/h3-11,17,20H,12-16H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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
Bromodomain-containing protein 4 (BRD4) (aa 44-168) (Homo sapiens (Human))	US11077107, Example III-1 (US10328074, Example III-1 | US9266891, III-1) Show SMILES CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C26H28N8/c1-18-30-31-26-24(27-20-12-14-32(2)15-13-20)28-22(17-33(18)26)25-29-21-10-6-7-11-23(21)34(25)16-19-8-4-3-5-9-19/h3-11,17,20H,12-16H2,1-2H3,(H,27,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
BRD4 BD1 (aa 42-168) (Homo sapiens (Human))	BDBM209460 (US10328074, Example III-1 | US9266891, III-1) Show SMILES CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C26H28N8/c1-18-30-31-26-24(27-20-12-14-32(2)15-13-20)28-22(17-33(18)26)25-29-21-10-6-7-11-23(21)34(25)16-19-8-4-3-5-9-19/h3-11,17,20H,12-16H2,1-2H3,(H,27,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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