null

SMILES: COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O

InChI Key: InChIKey=TZKKOHDULHTKNF-AREMUKBSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 331212   

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-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331212 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesulfo...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C28H30N6O4S/c1-17-25(33(2)32-31-17)20-14-21-24(29-15-20)23-27(22(39(4,35)36)16-30-28(23)37-3)34(21)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/h5-9,14-16,19,26H,10-13H2,1-4H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331212 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesulfo...) Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C28H30N6O4S/c1-17-25(33(2)32-31-17)20-14-21-24(29-15-20)23-27(22(39(4,35)36)16-30-28(23)37-3)34(21)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/h5-9,14-16,19,26H,10-13H2,1-4H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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