BDBM331216 5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluorophenyl)(oxan-4-yl)methyl]-10-methanesulfonyl-13-methoxy-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2::US9725449, Example 50::US9725449, Example 51

SMILES: COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O

InChI Key: InChIKey=OFCUMMMBJHBQIH-SANMLTNESA-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 = 331216   

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))	BDBM331216 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29FN6O4S/c1-16-25(34(2)33-32-16)18-13-21-24(30-14-18)23-27(22(40(4,36)37)15-31-28(23)38-3)35(21)26(17-9-11-39-12-10-17)19-7-5-6-8-20(19)29/h5-8,13-15,17,26H,9-12H2,1-4H3/t26-/m0/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))	BDBM331216 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29FN6O4S/c1-16-25(34(2)33-32-16)18-13-21-24(30-14-18)23-27(22(40(4,36)37)15-31-28(23)38-3)35(21)26(17-9-11-39-12-10-17)19-7-5-6-8-20(19)29/h5-8,13-15,17,26H,9-12H2,1-4H3/t26-/m0/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