BDBM209476 US10328074, Example III-17::US9266891, III-17

SMILES: CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1

InChI Key: InChIKey=NSHYAULTAMQMBT-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 = 209476   

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))	BDBM209476 (US10328074, Example III-17 | US9266891, III-17) Show SMILES CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N10/c1-4-27-24-26-32-31-18(2)35(26)17-21(29-24)25-30-20-15-28-23(34-12-10-33(3)11-13-34)14-22(20)36(25)16-19-8-6-5-7-9-19/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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-17 (US10328074, Example III-17 | US9266891, III-17) Show SMILES CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N10/c1-4-27-24-26-32-31-18(2)35(26)17-21(29-24)25-30-20-15-28-23(34-12-10-33(3)11-13-34)14-22(20)36(25)16-19-8-6-5-7-9-19/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,27,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	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))	BDBM209476 (US10328074, Example III-17 | US9266891, III-17) Show SMILES CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N10/c1-4-27-24-26-32-31-18(2)35(26)17-21(29-24)25-30-20-15-28-23(34-12-10-33(3)11-13-34)14-22(20)36(25)16-19-8-6-5-7-9-19/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,27,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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