BDBM209212 US9266877, 158

SMILES: Cc1nn(C[C@@H]2CC[C@H]3C[C@@H](C2)C3(C)C)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=PRTUTHDGKGVFPB-DMTNHVFBSA-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 = 209212   

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))	BDBM209212 (US9266877, 158) Show SMILES Cc1nn(C[C@@H]2CC[C@H]3C[C@@H](C2)C3(C)C)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r| Show InChI InChI=1S/C38H40N6O3S/c1-22-29(21-44(42-22)19-23-11-12-25-18-26(17-23)38(25,2)3)27-13-14-33(40-34(27)36(46)47)43-16-15-24-7-6-8-28(30(24)20-43)35(45)41-37-39-31-9-4-5-10-32(31)48-37/h4-10,13-14,21,23,25-26H,11-12,15-20H2,1-3H3,(H,46,47)(H,39,41,45)/t23-,25+,26-/m1/s1	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))	BDBM209212 (US9266877, 158) Show SMILES Cc1nn(C[C@@H]2CC[C@H]3C[C@@H](C2)C3(C)C)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |r| Show InChI InChI=1S/C38H40N6O3S/c1-22-29(21-44(42-22)19-23-11-12-25-18-26(17-23)38(25,2)3)27-13-14-33(40-34(27)36(46)47)43-16-15-24-7-6-8-28(30(24)20-43)35(45)41-37-39-31-9-4-5-10-32(31)48-37/h4-10,13-14,21,23,25-26H,11-12,15-20H2,1-3H3,(H,46,47)(H,39,41,45)/t23-,25+,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	364	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