BDBM237172 US9403822, 5

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4CC[C@@H](CC4)OP(O)(O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key:

Data: 1 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 1 hit for monomerid = 237172   

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))	BDBM237172 (US9403822, 5) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4CC[C@@H](CC4)OP(O)(O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,wU:29.29,wD:32.36,c:62,(12.68,14.16,;11.87,12.85,;13.41,12.91,;11.87,11.31,;10.53,10.54,;9.2,11.31,;7.87,10.54,;7.87,9,;6.53,8.23,;6.53,6.69,;7.87,5.92,;9.2,6.69,;9.2,8.23,;7.87,4.38,;9.2,3.61,;9.2,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;9.2,-1.01,;9.2,-2.55,;10.74,-2.55,;7.66,-2.55,;9.2,-4.09,;10.53,-4.86,;10.53,-6.4,;9.2,-7.17,;9.2,-8.71,;10.53,-9.48,;10.53,-11.02,;11.87,-11.79,;11.87,-13.33,;10.53,-14.1,;9.2,-13.33,;9.2,-11.79,;10.53,-15.64,;11.87,-16.41,;12.64,-15.07,;11.1,-17.74,;13.2,-17.18,;7.87,-6.4,;7.87,-4.86,;6.53,-7.17,;6.53,-8.71,;5.2,-6.4,;6.53,2.07,;5.2,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;6.53,3.61,;9.2,12.85,;10.53,13.62,;7.87,13.62,;6.53,12.85,;5.2,13.62,;5.2,15.16,;3.86,15.93,;6.53,15.93,;7.87,15.16,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 US9403822 (2016) BindingDB Entry DOI: 10.7270/Q28P5ZCD
					More data for this Ligand-Target Pair