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Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 5886   
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
BCL-W


(Homo sapiens (Human))
BDBM50020938
PNG
(CHEMBL3287301)
Show SMILES OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C30H26N4O4S2/c35-27(33-29-31-23-12-4-5-13-24(23)39-29)21-11-6-8-19-15-16-34(18-22(19)21)30-32-26(28(36)37)25(40-30)14-7-17-38-20-9-2-1-3-10-20/h1-6,8-13H,7,14-18H2,(H,36,37)(H,31,33,35)
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n/an/an/a 62n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)

More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
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n/an/an/a 459n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bclw


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM109236
PNG
(WEHI-539)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
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n/an/a 4.10E+3>550n/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)

More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50020930
PNG
(CHEMBL3287293)
Show SMILES OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C21H16N4O3S2/c26-18(24-20-22-15-6-1-2-7-17(15)30-20)13-5-3-4-12-8-9-25(10-14(12)13)21-23-16(11-29-21)19(27)28/h1-7,11H,8-10H2,(H,27,28)(H,22,24,26)
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n/an/an/a 7.80E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)

More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50020929
PNG
(CHEMBL3287292)
Show SMILES OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C23H18N4O3S/c28-21(26-23-25-17-7-1-2-9-19(17)31-23)15-6-3-5-14-11-12-27(13-16(14)15)20-10-4-8-18(24-20)22(29)30/h1-10H,11-13H2,(H,29,30)(H,25,26,28)
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n/an/an/a>2.00E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)

More data for this
Ligand-Target Pair