BDBM331207 10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-N,N-dimethyl-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2::US9725449, Example 41

SMILES: CN(C)c1ncc(Cl)c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C

InChI Key: InChIKey=RJSYBVZXLMHKLZ-AREMUKBSSA-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 = 331207   

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))	BDBM331207 (10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-N,N-d...) Show SMILES CN(C)c1ncc(Cl)c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C |r| Show InChI InChI=1S/C28H30ClN7O/c1-17-25(35(4)33-32-17)20-14-22-24(30-15-20)23-27(21(29)16-31-28(23)34(2)3)36(22)26(18-8-6-5-7-9-18)19-10-12-37-13-11-19/h5-9,14-16,19,26H,10-13H2,1-4H3/t26-/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