BDBM209222 US9266877, 168

SMILES: Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=AWWJGXLEOUSGCD-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 = 209222   

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))	BDBM209222 (US9266877, 168) Show SMILES Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C40H41N7O4S/c1-26-31(22-28(23-41)47(26)25-40(15-5-2-6-16-40)46-18-20-51-21-19-46)29-12-13-35(43-36(29)38(49)50)45-17-14-27-8-7-9-30(32(27)24-45)37(48)44-39-42-33-10-3-4-11-34(33)52-39/h3-4,7-13,22H,2,5-6,14-21,24-25H2,1H3,(H,49,50)(H,42,44,48)	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))	BDBM209222 (US9266877, 168) Show SMILES Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C40H41N7O4S/c1-26-31(22-28(23-41)47(26)25-40(15-5-2-6-16-40)46-18-20-51-21-19-46)29-12-13-35(43-36(29)38(49)50)45-17-14-27-8-7-9-30(32(27)24-45)37(48)44-39-42-33-10-3-4-11-34(33)52-39/h3-4,7-13,22H,2,5-6,14-21,24-25H2,1H3,(H,49,50)(H,42,44,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14	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