BDBM178829 US9125913, 401

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=WRWQRGFIDBHLSH-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 = 178829   

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))	BDBM178829 (US9125913, 401) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63| Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)19-14-34(41(30-49)33-6-8-35(50)9-7-33)32-55-22-24-57(25-23-55)38-10-12-40(47(28-38)65-46-5-3-4-43-42(46)31-51-53-43)48(59)54-66(62,63)39-11-13-44(45(29-39)58(60)61)52-36-15-20-56(21-16-36)37-17-26-64-27-18-37/h3-13,28-29,31,36-37,52H,14-27,30,32H2,1-2H3,(H,51,53)(H,54,59)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	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))	BDBM178829 (US9125913, 401) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1 |c:63| Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)19-14-34(41(30-49)33-6-8-35(50)9-7-33)32-55-22-24-57(25-23-55)38-10-12-40(47(28-38)65-46-5-3-4-43-42(46)31-51-53-43)48(59)54-66(62,63)39-11-13-44(45(29-39)58(60)61)52-36-15-20-56(21-16-36)37-17-26-64-27-18-37/h3-13,28-29,31,36-37,52H,14-27,30,32H2,1-2H3,(H,51,53)(H,54,59)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.62	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