BDBM331219 5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-methanesulfonyl-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2::US9725449, Example 53::US9725449, Example 56

SMILES: CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O

InChI Key: InChIKey=OKRNGASSSYVVBZ-HHHXNRCGSA-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 2 hits for monomerid = 331219   

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
Bromodomain BRD4 (Homo sapiens (Human))	BDBM331219 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-me...) Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C29H32N6O4S/c1-5-39-29-24-25-22(15-21(16-30-25)26-18(2)32-33-34(26)3)35(28(24)23(17-31-29)40(4,36)37)27(19-9-7-6-8-10-19)20-11-13-38-14-12-20/h6-10,15-17,20,27H,5,11-14H2,1-4H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain BRD4 (Homo sapiens (Human))	BDBM331219 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-me...) Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C29H32N6O4S/c1-5-39-29-24-25-22(15-21(16-30-25)26-18(2)32-33-34(26)3)35(28(24)23(17-31-29)40(4,36)37)27(19-9-7-6-8-10-19)20-11-13-38-14-12-20/h6-10,15-17,20,27H,5,11-14H2,1-4H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair