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Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 2976,4023   
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
cIAP-2 BIR3


(Homo sapiens (human))
BDBM130049
PNG
(US8815927, SM-1265)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)c1nc2c(cccc2[nH]1)-c1ccccc1)C(=O)CCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C58H70N12O6/c1-35(59-3)55(73)63-45-33-67(31-29-39-25-27-47(69(39)57(45)75)53-61-43-21-13-19-41(51(43)65-53)37-15-7-5-8-16-37)49(71)23-11-12-24-50(72)68-32-30-40-26-28-48(70(40)58(76)46(34-68)64-56(74)36(2)60-4)54-62-44-22-14-20-42(52(44)66-54)38-17-9-6-10-18-38/h5-10,13-22,35-36,39-40,45-48,59-60H,11-12,23-34H2,1-4H3,(H,61,65)(H,62,66)(H,63,73)(H,64,74)/t35-,36-,39+,40+,45-,46-,47-,48-/m0/s1
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
An in vitro fluorescence polarization (FP) based binding assay was used to test the binding ability of the compounds of the present invention to cert...


Citation and Details
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM130048
PNG
(US8815927, SM-1259)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)c1nc2c(cccc2[nH]1)-c1ccccc1)C(=O)CCCCOCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C62H78N12O7/c1-39(63-3)59(77)67-49-37-71(33-31-43-27-29-51(73(43)61(49)79)57-65-47-23-15-21-45(55(47)69-57)41-17-7-5-8-18-41)53(75)25-11-13-35-81-36-14-12-26-54(76)72-34-32-44-28-30-52(74(44)62(80)50(38-72)68-60(78)40(2)64-4)58-66-48-24-16-22-46(56(48)70-58)42-19-9-6-10-20-42/h5-10,15-24,39-40,43-44,49-52,63-64H,11-14,25-38H2,1-4H3,(H,65,69)(H,66,70)(H,67,77)(H,68,78)/t39-,40-,43+,44+,49-,50-,51-,52-/m0/s1
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UniChem

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US Patent
n/an/a<20n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
An in vitro fluorescence polarization (FP) based binding assay was used to test the binding ability of the compounds of the present invention to cert...


Citation and Details
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM130050
PNG
(US8815927, SM-1266)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)c1nc2c(cccc2[nH]1)-c1ccccc1)C(=O)CCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C60H74N12O6/c1-37(61-3)57(75)65-47-35-69(33-31-41-27-29-49(71(41)59(47)77)55-63-45-23-15-21-43(53(45)67-55)39-17-9-7-10-18-39)51(73)25-13-5-6-14-26-52(74)70-34-32-42-28-30-50(72(42)60(78)48(36-70)66-58(76)38(2)62-4)56-64-46-24-16-22-44(54(46)68-56)40-19-11-8-12-20-40/h7-12,15-24,37-38,41-42,47-50,61-62H,5-6,13-14,25-36H2,1-4H3,(H,63,67)(H,64,68)(H,65,75)(H,66,76)/t37-,38-,41+,42+,47-,48-,49-,50-/m0/s1
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US Patent
n/an/a<20n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
An in vitro fluorescence polarization (FP) based binding assay was used to test the binding ability of the compounds of the present invention to cert...


Citation and Details
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM7006
PNG
(US8815927, SM-1258)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)c1nc2c(cccc2[nH]1)-c(:c:c):c:c)C(=O)CCCCCCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)c1nc2c(cccc2[nH]1)-c1ccccc1
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PC sid
UniChem

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US Patent
n/an/a<50n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
An in vitro fluorescence polarization (FP) based binding assay was used to test the binding ability of the compounds of the present invention to cert...


Citation and Details
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM130051
PNG
(US8815927, SM-1267)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)c1nc2c(cccc2[nH]1)-c1ccccc1)C(=O)CCCCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)c1nc2c(cccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C62H78N12O6/c1-39(63-3)59(77)67-49-37-71(35-33-43-29-31-51(73(43)61(49)79)57-65-47-25-17-23-45(55(47)69-57)41-19-11-9-12-20-41)53(75)27-15-7-5-6-8-16-28-54(76)72-36-34-44-30-32-52(74(44)62(80)50(38-72)68-60(78)40(2)64-4)58-66-48-26-18-24-46(56(48)70-58)42-21-13-10-14-22-42/h9-14,17-26,39-40,43-44,49-52,63-64H,5-8,15-16,27-38H2,1-4H3,(H,65,69)(H,66,70)(H,67,77)(H,68,78)/t39-,40-,43+,44+,49-,50-,51-,52-/m0/s1
PDB
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PC cid
PC sid
UniChem

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US Patent
n/an/a<50n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
An in vitro fluorescence polarization (FP) based binding assay was used to test the binding ability of the compounds of the present invention to cert...


Citation and Details
More data for this
Ligand-Target Pair