BDBM145150 US8952157, 341::US9303025, 341

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=NDMKWZGHNVGKJI-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 = 145150   

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))	BDBM145150 (US8952157, 341 | US9303025, 341) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:63| Show InChI InChI=1S/C49H53ClF2N6O7S/c1-48(2)15-13-34(40(29-48)32-3-5-35(50)6-4-32)30-55-21-23-57(24-22-55)37-9-11-39(45(26-37)65-46-25-33-14-18-53-42(33)28-41(46)51)47(59)54-66(62,63)38-10-12-44(43(27-38)58(60)61)64-31-49(52)16-19-56(20-17-49)36-7-8-36/h3-6,9-12,14,18,25-28,36,53H,7-8,13,15-17,19-24,29-31H2,1-2H3,(H,54,59)	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))	BDBM145150 (US8952157, 341 | US9303025, 341) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:63| Show InChI InChI=1S/C49H53ClF2N6O7S/c1-48(2)15-13-34(40(29-48)32-3-5-35(50)6-4-32)30-55-21-23-57(24-22-55)37-9-11-39(45(26-37)65-46-25-33-14-18-53-42(33)28-41(46)51)47(59)54-66(62,63)38-10-12-44(43(27-38)58(60)61)64-31-49(52)16-19-56(20-17-49)36-7-8-36/h3-6,9-12,14,18,25-28,36,53H,7-8,13,15-17,19-24,29-31H2,1-2H3,(H,54,59)	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