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SMILES: CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cn(COP(O)(O)=O)c3nccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1

InChI Key: InChIKey=KARXUJLBKLHXLM-HRSGUYQMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 237168   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM237168
PNG
(US9403822, 1)
Show SMILES CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cn(COP(O)(O)=O)c3nccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |r,wU:2.1,wD:5.5,t:54,(2.67,20.02,;4,19.25,;4,17.71,;5.33,16.94,;5.33,15.4,;4,14.63,;4,13.09,;5.33,12.32,;5.33,10.78,;6.67,10.01,;6.67,8.47,;5.33,7.7,;4,8.47,;4,10.01,;2.67,10.78,;1.33,10.01,;2.67,12.32,;5.33,6.16,;6.87,6.16,;3.79,6.16,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;8,1.54,;8,,;6.67,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;,-4.62,;-1.54,-4.62,;1.54,-4.62,;,-6.16,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;6.67,-6.93,;5.33,-7.7,;5.33,-9.24,;4,-10.01,;2.67,-9.24,;1.85,-10.55,;1.13,-9.29,;2.67,-7.7,;4,-6.93,;6.67,-10.01,;8,-9.24,;9.34,-10.01,;9.34,-11.55,;10.67,-12.32,;8,-12.32,;6.67,-11.55,;5.33,-4.62,;5.33,-3.08,;2.67,15.4,;2.67,16.94,)|
Show InChI InChI=1S/C48H57ClN7O11PS/c1-48(2)18-16-35(42(27-48)33-6-8-36(49)9-7-33)29-53-20-22-54(23-21-53)37-10-14-41(45(25-37)67-39-24-34-17-19-50-46(34)55(30-39)31-66-68(60,61)62)47(57)52-69(63,64)40-13-15-43(44(26-40)56(58)59)51-28-32-4-11-38(65-3)12-5-32/h6-10,13-15,17,19,24-26,30,32,38,51H,4-5,11-12,16,18,20-23,27-29,31H2,1-3H3,(H,52,57)(H2,60,61,62)/t32-,38-
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



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