BDBM331225 13-(Cyclopropylmethoxy)-10-methanesulfonyl-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2::US9725449, Example 101::US9725449, Example 59

SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O

InChI Key: InChIKey=YSLLWYGBIMFJSQ-GDLZYMKVSA-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 = 331225   

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))	BDBM331225 (13-(Cyclopropylmethoxy)-10-methanesulfonyl-5-[4-(2...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O |r| Show InChI InChI=1S/C31H34N6O4S/c1-19-28(36(2)35-34-19)23-15-24-27(32-16-23)26-30(25(42(3,38)39)17-33-31(26)41-18-20-9-10-20)37(24)29(21-7-5-4-6-8-21)22-11-13-40-14-12-22/h4-8,15-17,20,22,29H,9-14,18H2,1-3H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG 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
Bromodomain BRD4 (Homo sapiens (Human))	BDBM331225 (13-(Cyclopropylmethoxy)-10-methanesulfonyl-5-[4-(2...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O |r| Show InChI InChI=1S/C31H34N6O4S/c1-19-28(36(2)35-34-19)23-15-24-27(32-16-23)26-30(25(42(3,38)39)17-33-31(26)41-18-20-9-10-20)37(24)29(21-7-5-4-6-8-21)22-11-13-40-14-12-22/h4-8,15-17,20,22,29H,9-14,18H2,1-3H3/t29-/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