BDBM209216 US9266877, 162

SMILES: COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1

InChI Key: InChIKey=REGIYSKTNLQTJH-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 209216   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209216 (US9266877, 162) Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1 Show InChI InChI=1S/C38H43N7O5S2/c1-24-28(20-39-45(24)23-38(50-4)18-9-17-37(2,3)22-38)26-14-15-32(41-33(26)35(47)43-52(5,48)49)44-19-16-25-10-8-11-27(29(25)21-44)34(46)42-36-40-30-12-6-7-13-31(30)51-36/h6-8,10-15,20H,9,16-19,21-23H2,1-5H3,(H,43,47)(H,40,42,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	<-13.6	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-XL (Mus musculus (Mouse))	BDBM209216 (US9266877, 162) Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1 Show InChI InChI=1S/C38H43N7O5S2/c1-24-28(20-39-45(24)23-38(50-4)18-9-17-37(2,3)22-38)26-14-15-32(41-33(26)35(47)43-52(5,48)49)44-19-16-25-10-8-11-27(29(25)21-44)34(46)42-36-40-30-12-6-7-13-31(30)51-36/h6-8,10-15,20H,9,16-19,21-23H2,1-5H3,(H,43,47)(H,40,42,46)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
ABBVIE INC. US Patent					Assay Description The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...				US Patent US9266877 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q7V
					More data for this Ligand-Target Pair