BDBM178623 US9125913, 186

SMILES: CN1CCC(O)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1

InChI Key: InChIKey=GBRQSEQIORQXID-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 = 178623   

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))	BDBM178623 (US9125913, 186) Show SMILES CN1CCC(O)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48| Show InChI InChI=1S/C47H54ClN7O7S/c1-46(2)17-15-33(39(29-46)32-7-9-34(48)10-8-32)30-53-23-25-54(26-24-53)35-11-13-38(44(27-35)62-43-6-4-5-40-37(43)16-20-49-40)45(56)51-63(60,61)36-12-14-41(42(28-36)55(58)59)50-31-47(57)18-21-52(3)22-19-47/h4-14,16,20,27-28,49-50,57H,15,17-19,21-26,29-31H2,1-3H3,(H,51,56)	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))	BDBM178623 (US9125913, 186) Show SMILES CN1CCC(O)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ccc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:48| Show InChI InChI=1S/C47H54ClN7O7S/c1-46(2)17-15-33(39(29-46)32-7-9-34(48)10-8-32)30-53-23-25-54(26-24-53)35-11-13-38(44(27-35)62-43-6-4-5-40-37(43)16-20-49-40)45(56)51-63(60,61)36-12-14-41(42(28-36)55(58)59)50-31-47(57)18-21-52(3)22-19-47/h4-14,16,20,27-28,49-50,57H,15,17-19,21-26,29-31H2,1-3H3,(H,51,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11.2	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