BDBM331195 5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-fluoro-8-[(S)-(2-fluorophenyl)(oxan-4-yl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2::US9725449, Example 29

SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(F)nccc21

InChI Key: InChIKey=VDNCODSYGQWCGQ-DEOSSOPVSA-N

Data: 1 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 1 hit for monomerid = 331195   

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))	BDBM331195 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-fluoro-8-[(S...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(F)nccc21 |r| Show InChI InChI=1S/C26H24F2N6O/c1-15-23(33(2)32-31-15)17-13-21-22(30-14-17)19-7-10-29-26(28)25(19)34(21)24(16-8-11-35-12-9-16)18-5-3-4-6-20(18)27/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3/t24-/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