BDBM145173 US8952157, 364::US9303025, 364

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=DFRKUIJVEDVAOU-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 = 145173   

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 (Homo sapiens (Human))	BDBM145173 (US8952157, 364 | US9303025, 364) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H52Cl2N8O7S/c1-45(2)14-11-30(38(24-45)29-3-5-31(46)6-4-29)26-52-17-19-54(20-18-52)33-7-9-37(42(21-33)62-35-22-39(47)43(48)49-25-35)44(56)51-63(59,60)36-8-10-40(41(23-36)55(57)58)50-32-12-15-53(16-13-32)34-27-61-28-34/h3-10,21-23,25,32,34,50H,11-20,24,26-28H2,1-2H3,(H2,48,49)(H,51,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0140	-14.8	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9303025 (2016) BindingDB Entry DOI: 10.7270/Q2XD10JP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM145173 (US8952157, 364 | US9303025, 364) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H52Cl2N8O7S/c1-45(2)14-11-30(38(24-45)29-3-5-31(46)6-4-29)26-52-17-19-54(20-18-52)33-7-9-37(42(21-33)62-35-22-39(47)43(48)49-25-35)44(56)51-63(59,60)36-8-10-40(41(23-36)55(57)58)50-32-12-15-53(16-13-32)34-27-61-28-34/h3-10,21-23,25,32,34,50H,11-20,24,26-28H2,1-2H3,(H2,48,49)(H,51,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0140	-14.8	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US8952157 (2015) BindingDB Entry DOI: 10.7270/Q2QN65G9
					More data for this Ligand-Target Pair