BDBM209481 US10328074, Example III-22::US9266891, III-22

SMILES: CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1

InChI Key: InChIKey=BFYPTOVDLGDJDC-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 = 209481   

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))	BDBM209481 (US10328074, Example III-22 | US9266891, III-22) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-7-9-34-10-8-31)11-19(17)33(22)13-16-5-3-4-6-25-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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-22 (US10328074, Example III-22 | US9266891, III-22) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-7-9-34-10-8-31)11-19(17)33(22)13-16-5-3-4-6-25-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	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))	BDBM209481 (US10328074, Example III-22 | US9266891, III-22) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-7-9-34-10-8-31)11-19(17)33(22)13-16-5-3-4-6-25-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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