BDBM209483 US10328074, Example III-24::US9266891, III-24

SMILES: Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1

InChI Key: InChIKey=ZEBAQXYAFDJKJH-LJQANCHMSA-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 = 209483   

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))	BDBM209483 (US10328074, Example III-24 | US9266891, III-24) Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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-24 (US10328074, Example III-24 | US9266891, III-24) Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	20	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))	BDBM209483 (US10328074, Example III-24 | US9266891, III-24) Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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