BDBM178579 US9125913, 138

SMILES: [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=IFYSCBSTYRSEKN-UHFFFAOYSA-N

Data: 2 KI

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 = 178579   

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
Apoptosis regulator Bcl-2 (Mus musculus (Mouse))	BDBM178579 (US9125913, 138) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C48H53ClN6O8S/c49-38-10-8-36(9-11-38)43-16-13-41(62-29-26-52-20-4-5-21-52)30-37(43)34-53-22-24-54(25-23-53)39-12-15-44(47(31-39)63-40-6-2-1-3-7-40)48(56)51-64(59,60)42-14-17-45(46(32-42)55(57)58)50-33-35-18-27-61-28-19-35/h1-3,6-17,30-32,35,50H,4-5,18-29,33-34H2,(H,51,56)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...				US Patent US9125913 (2015) BindingDB Entry DOI: 10.7270/Q29Z93PP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-XL (Mus musculus (Mouse))	BDBM178579 (US9125913, 138) Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2cc(OCCN3CCCC3)ccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C48H53ClN6O8S/c49-38-10-8-36(9-11-38)43-16-13-41(62-29-26-52-20-4-5-21-52)30-37(43)34-53-22-24-54(25-23-53)39-12-15-44(47(31-39)63-40-6-2-1-3-7-40)48(56)51-64(59,60)42-14-17-45(46(32-42)55(57)58)50-33-35-18-27-61-28-19-35/h1-3,6-17,30-32,35,50H,4-5,18-29,33-34H2,(H,51,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...				US Patent US9125913 (2015) BindingDB Entry DOI: 10.7270/Q29Z93PP
					More data for this Ligand-Target Pair