BDBM209496 US10328074, Example III-37::US9266891, III-37

SMILES: CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1

InChI Key: InChIKey=PTLRUSZADXPAID-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 = 209496   

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))	BDBM209496 (US10328074, Example III-37 | US9266891, III-37) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1 Show InChI InChI=1S/C21H21N9/c1-13(2)24-19-21-28-27-14(3)29(21)12-17(25-19)20-26-16-10-22-9-7-18(16)30(20)11-15-6-4-5-8-23-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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-37 (US10328074, Example III-37 | US9266891, III-37) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1 Show InChI InChI=1S/C21H21N9/c1-13(2)24-19-21-28-27-14(3)29(21)12-17(25-19)20-26-16-10-22-9-7-18(16)30(20)11-15-6-4-5-8-23-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14	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))	BDBM209496 (US10328074, Example III-37 | US9266891, III-37) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1 Show InChI InChI=1S/C21H21N9/c1-13(2)24-19-21-28-27-14(3)29(21)12-17(25-19)20-26-16-10-22-9-7-18(16)30(20)11-15-6-4-5-8-23-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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