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Found 15 hits Enz. Inhib. hit(s) with Target = 'cIAP-2 BIR3' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cIAP-2 BIR3


(Homo sapiens (human))
BDBM26207
PNG
((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C28H34N4O3/c1-17(29-2)26(33)31-23-16-19-9-4-6-12-21(19)24-14-15-25(32(24)28(23)35)27(34)30-22-13-7-10-18-8-3-5-11-20(18)22/h3-6,8-9,11-12,17,22-25,29H,7,10,13-16H2,1-2H3,(H,30,34)(H,31,33)/t17-,22+,23-,24+,25-/m0/s1
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4.20 -47.3n/an/an/an/an/a7.522



Shanghai Institute of Organic Chemistry



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM13212
PNG
((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1
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4.80 -47.0n/an/an/an/an/a7.522



Shanghai Institute of Organic Chemistry



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM26206
PNG
((2R,5S,8S)-N-(diphenylmethyl)-8-[(2S)-2-(methylami...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H34N4O3/c1-20(32-2)29(36)33-25-19-23-15-9-10-16-24(23)26-17-18-27(35(26)31(25)38)30(37)34-28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,25-28,32H,17-19H2,1-2H3,(H,33,36)(H,34,37)/t20-,25-,26+,27-/m0/s1
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5.90 -46.5n/an/an/an/an/a7.522



Shanghai Institute of Organic Chemistry



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM26209
PNG
((2R,6S,9S)-N-(diphenylmethyl)-9-[(2S)-2-(methylami...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O3/c1-21(33-2)30(37)34-26-20-24-16-9-10-17-25(24)27-18-11-19-28(36(27)32(26)39)31(38)35-29(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-10,12-17,21,26-29,33H,11,18-20H2,1-2H3,(H,34,37)(H,35,38)/t21-,26-,27+,28-/m0/s1
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20 -43.5n/an/an/an/an/a7.522



Shanghai Institute of Organic Chemistry



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32578
PNG
(CS-1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C28H40N6O3/c1-18-15-16-33(28(37)24(21-11-7-5-8-12-21)31-26(35)20(3)29-4)25(18)27(36)30-23-17-19(2)32-34(23)22-13-9-6-10-14-22/h6,9-10,13-14,17-18,20-21,24-25,29H,5,7-8,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)/t18-,20-,24-,25-/m0/s1
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52 -41.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32580
PNG
(CS-3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1
Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1
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85 -40.0n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32576
PNG
(PS-1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m0/s1
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96 -39.7n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32579
PNG
(CS-2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1
Show InChI InChI=1S/C27H36N6O3/c1-18(28-2)25(34)32-23(19-10-4-3-5-11-19)27(36)33-17-8-14-22(33)26(35)31-21-13-7-6-12-20(21)24-29-15-9-16-30-24/h6-7,9,12-13,15-16,18-19,22-23,28H,3-5,8,10-11,14,17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23-/m0/s1
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114 -39.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM26208
PNG
((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C28H34N4O3/c1-17(29-2)26(33)31-23-16-19-9-4-6-12-21(19)24-14-15-25(32(24)28(23)35)27(34)30-22-13-7-10-18-8-3-5-11-20(18)22/h3-6,8-9,11-12,17,22-25,29H,7,10,13-16H2,1-2H3,(H,30,34)(H,31,33)/t17-,22-,23-,24+,25-/m0/s1
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370 -36.3n/an/an/an/an/a7.522



Shanghai Institute of Organic Chemistry



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


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More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32577
PNG
(ent-PS-1)
Show SMILES CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m1/s1
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>3.40E+4>-25.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


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More data for this
Ligand-Target Pair
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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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...


US Patent US8815927 (2014)

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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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...


US Patent US8815927 (2014)

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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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...


US Patent US8815927 (2014)

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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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...


US Patent US8815927 (2014)

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
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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...


US Patent US8815927 (2014)

More data for this
Ligand-Target Pair