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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 50005992   
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
Segment polarity protein dishevelled homolog DVL-2


(Homo sapiens (Human))
BDBM50378800
PNG
(CHEMBL1221418)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C59H65N11O9/c60-25-11-10-20-48(67-54(73)44(61)28-37-31-62-45-17-7-4-14-41(37)45)56(75)69-51(30-39-33-64-47-19-9-6-16-43(39)47)58(77)68-49(26-36-21-23-40(71)24-22-36)55(74)65-34-53(72)66-50(29-38-32-63-46-18-8-5-15-42(38)46)57(76)70-52(59(78)79)27-35-12-2-1-3-13-35/h1-9,12-19,21-24,31-33,44,48-52,62-64,71H,10-11,20,25-30,34,60-61H2,(H,65,74)(H,66,72)(H,67,73)(H,68,77)(H,69,75)(H,70,76)(H,78,79)/t44-,48-,49-,50-,51-,52-/m0/s1
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Article
PubMed
700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity at Dvl2 PDZ domain after 15 mins by fluorescence polarization assay


Nat Chem Biol 5: 217-9 (2009)


Article DOI: 10.1038/nchembio.152
BindingDB Entry DOI: 10.7270/Q21N823P
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-2


(Homo sapiens (Human))
BDBM50378802
PNG
(CHEMBL1222068)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C53H67N11O14/c1-3-28(2)46(52(76)63-42(53(77)78)24-45(69)70)64-51(75)40(22-31-26-57-37-13-7-5-11-34(31)37)59-43(66)27-58-48(72)39(20-29-15-17-32(65)18-16-29)61-50(74)41(23-44(67)68)62-49(73)38(14-8-9-19-54)60-47(71)35(55)21-30-25-56-36-12-6-4-10-33(30)36/h4-7,10-13,15-18,25-26,28,35,38-42,46,56-57,65H,3,8-9,14,19-24,27,54-55H2,1-2H3,(H,58,72)(H,59,66)(H,60,71)(H,61,74)(H,62,73)(H,63,76)(H,64,75)(H,67,68)(H,69,70)(H,77,78)/t28-,35-,38-,39-,40-,41-,42-,46-/m0/s1
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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity at Dvl2 PDZ domain after 15 mins by fluorescence polarization assay


Nat Chem Biol 5: 217-9 (2009)


Article DOI: 10.1038/nchembio.152
BindingDB Entry DOI: 10.7270/Q21N823P
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-2


(Homo sapiens (Human))
BDBM50378801
PNG
(CHEMBL1222069)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CN)[C@@H](C)CC)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C48H74N10O15/c1-9-25(7)39(57-41(65)30(15-16-36(61)62)51-35(60)20-49)47(71)56-38(24(5)6)46(70)54-31(17-23(3)4)42(66)52-32(18-27-21-50-29-14-12-11-13-28(27)29)43(67)55-34(22-59)45(69)53-33(19-37(63)64)44(68)58-40(48(72)73)26(8)10-2/h11-14,21,23-26,30-34,38-40,50,59H,9-10,15-20,22,49H2,1-8H3,(H,51,60)(H,52,66)(H,53,69)(H,54,70)(H,55,67)(H,56,71)(H,57,65)(H,58,68)(H,61,62)(H,63,64)(H,72,73)/t25-,26-,30-,31-,32-,33-,34-,38-,39-,40-/m0/s1
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Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity at Dvl2 PDZ domain after 15 mins by fluorescence polarization assay


Nat Chem Biol 5: 217-9 (2009)


Article DOI: 10.1038/nchembio.152
BindingDB Entry DOI: 10.7270/Q21N823P
More data for this
Ligand-Target Pair