BDBM209457 US10328074, Example II-1::US9266891, II-1

SMILES: CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1

InChI Key: InChIKey=FCQIYPQMTYFWQM-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 = 209457   

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))	BDBM209457 (US10328074, Example II-1 | US9266891, II-1) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H23N7/c1-16-21(19-12-8-5-9-13-19)27-23(30(16)14-18-10-6-4-7-11-18)20-15-31-17(2)28-29-24(31)22(25-3)26-20/h4-13,15H,14H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 (Homo sapiens (Human))	US11077107, Example II-1 (US10328074, Example II-1 | US9266891, II-1) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H23N7/c1-16-21(19-12-8-5-9-13-19)27-23(30(16)14-18-10-6-4-7-11-18)20-15-31-17(2)28-29-24(31)22(25-3)26-20/h4-13,15H,14H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	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))	BDBM209457 (US10328074, Example II-1 | US9266891, II-1) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H23N7/c1-16-21(19-12-8-5-9-13-19)27-23(30(16)14-18-10-6-4-7-11-18)20-15-31-17(2)28-29-24(31)22(25-3)26-20/h4-13,15H,14H2,1-3H3,(H,25,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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