BDBM178831 US9125913, 403

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=AHCNJNSTHZDOPE-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 = 178831   

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))	BDBM178831 (US9125913, 403) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)17-14-32(37(26-45)31-6-8-33(46)9-7-31)28-51-18-20-52(21-19-51)34-10-12-36(42(24-34)60-41-5-3-4-39-43(41)49-29-48-39)44(54)50-61(57,58)35-11-13-38(40(25-35)53(55)56)47-27-30-15-22-59-23-16-30/h3-13,24-25,29-30,47H,14-23,26-28H2,1-2H3,(H,48,49)(H,50,54)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00300	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))	BDBM178831 (US9125913, 403) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)17-14-32(37(26-45)31-6-8-33(46)9-7-31)28-51-18-20-52(21-19-51)34-10-12-36(42(24-34)60-41-5-3-4-39-43(41)49-29-48-39)44(54)50-61(57,58)35-11-13-38(40(25-35)53(55)56)47-27-30-15-22-59-23-16-30/h3-13,24-25,29-30,47H,14-23,26-28H2,1-2H3,(H,48,49)(H,50,54)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.3	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