BDBM145179 US8952157, 370::US9303025, 370

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=NBTDHGQMLZLPCZ-WJOKGBTCSA-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 = 145179   

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))	BDBM145179 (US8952157, 370 | US9303025, 370) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C44H50Cl2N8O6S/c1-44(2)15-13-29(37(24-44)28-3-5-30(45)6-4-28)26-51-17-19-52(20-18-51)33-9-11-36(41(21-33)60-34-22-38(46)42(47)48-25-34)43(55)50-61(58,59)35-10-12-39(40(23-35)54(56)57)49-31-14-16-53(27-31)32-7-8-32/h3-6,9-12,21-23,25,31-32,49H,7-8,13-20,24,26-27H2,1-2H3,(H2,47,48)(H,50,55)/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-15.0	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))	BDBM145179 (US8952157, 370 | US9303025, 370) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C44H50Cl2N8O6S/c1-44(2)15-13-29(37(24-44)28-3-5-30(45)6-4-28)26-51-17-19-52(20-18-51)33-9-11-36(41(21-33)60-34-22-38(46)42(47)48-25-34)43(55)50-61(58,59)35-10-12-39(40(23-35)54(56)57)49-31-14-16-53(27-31)32-7-8-32/h3-6,9-12,21-23,25,31-32,49H,7-8,13-20,24,26-27H2,1-2H3,(H2,47,48)(H,50,55)/t31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-15.0	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