BDBM145098 US8952157, 288::US9303025, 288

SMILES: CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2NC(=O)Cc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=GMKYKVRUSZJHJV-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 = 145098   

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))	BDBM145098 (US8952157, 288 | US9303025, 288) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2NC(=O)Cc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:50| Show InChI InChI=1S/C46H52ClN7O7S/c1-46(2)18-15-31(38(28-46)30-7-9-32(47)10-8-30)29-52-21-23-53(24-22-52)34-11-13-36(43(25-34)61-42-6-4-5-39-37(42)27-44(55)49-39)45(56)50-62(59,60)35-12-14-40(41(26-35)54(57)58)48-33-16-19-51(3)20-17-33/h4-14,25-26,33,48H,15-24,27-29H2,1-3H3,(H,49,55)(H,50,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0170	-14.7	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))	BDBM145098 (US8952157, 288 | US9303025, 288) Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2NC(=O)Cc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:50| Show InChI InChI=1S/C46H52ClN7O7S/c1-46(2)18-15-31(38(28-46)30-7-9-32(47)10-8-30)29-52-21-23-53(24-22-52)34-11-13-36(43(25-34)61-42-6-4-5-39-37(42)27-44(55)49-39)45(56)50-62(59,60)35-12-14-40(41(26-35)54(57)58)48-33-16-19-51(3)20-17-33/h4-14,25-26,33,48H,15-24,27-29H2,1-3H3,(H,49,55)(H,50,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0170	-14.7	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