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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2147   
Target/Host
(Institution)
LigandTarget/Host
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
cIAP1-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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30 -42.5n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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40 -41.8n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
XIAP-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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50 -41.3n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
cIAP1-BIR3


(Homo sapiens (Human))
BDBM17345
PNG
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1
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50 -41.3n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17345
PNG
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1
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50 -41.3n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cIAP2-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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70 -40.4n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
cIAP1-BIR3


(Homo sapiens (Human))
BDBM17347
PNG
((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1
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110 -39.3n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
cIAP2-BIR3


(Homo sapiens (Human))
BDBM17345
PNG
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1
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130 -38.9n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17346
PNG
((3R,6S,9aS)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20-,21+/m0/s1
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190 -38.0n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17347
PNG
((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1
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270 -37.1n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17347
PNG
((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1
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280 -37.0n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cIAP2-BIR3


(Homo sapiens (Human))
BDBM17347
PNG
((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1
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490 -35.7n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17341
PNG
((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C41H71N11O14/c1-7-21(4)32(51-38(62)28-12-10-18-52(28)40(64)31(20(2)3)50-33(57)22(5)43)39(63)45-23(6)34(58)46-25(13-15-29(44)54)36(60)47-24(11-8-9-17-42)35(59)49-27(19-53)37(61)48-26(41(65)66)14-16-30(55)56/h20-28,31-32,53H,7-19,42-43H2,1-6H3,(H2,44,54)(H,45,63)(H,46,58)(H,47,60)(H,48,61)(H,49,59)(H,50,57)(H,51,62)(H,55,56)(H,65,66)/t21-,22-,23-,24-,25-,26-,27-,28-,31-,32-/m0/s1
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500 -35.6n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
XIAP-BIR3


(Homo sapiens (Human))
BDBM17341
PNG
((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C41H71N11O14/c1-7-21(4)32(51-38(62)28-12-10-18-52(28)40(64)31(20(2)3)50-33(57)22(5)43)39(63)45-23(6)34(58)46-25(13-15-29(44)54)36(60)47-24(11-8-9-17-42)35(59)49-27(19-53)37(61)48-26(41(65)66)14-16-30(55)56/h20-28,31-32,53H,7-19,42-43H2,1-6H3,(H2,44,54)(H,45,63)(H,46,58)(H,47,60)(H,48,61)(H,49,59)(H,50,57)(H,51,62)(H,55,56)(H,65,66)/t21-,22-,23-,24-,25-,26-,27-,28-,31-,32-/m0/s1
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670 -34.9n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17345
PNG
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1
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770 -34.5n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17346
PNG
((3R,6S,9aS)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20-,21+/m0/s1
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2.34E+3 -31.8n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17348
PNG
((3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20-/m0/s1
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3.00E+3 -31.2n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17348
PNG
((3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20-/m0/s1
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4.19E+3 -30.4n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17343
PNG
((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H67N11O14/c1-5-20(2)31(49-29(53)18-50-17-9-7-11-25(38(50)62)46-32(56)21(3)41)37(61)43-22(4)33(57)44-24(12-14-28(42)52)35(59)45-23(10-6-8-16-40)34(58)48-27(19-51)36(60)47-26(39(63)64)13-15-30(54)55/h20-27,31,51H,5-19,40-41H2,1-4H3,(H2,42,52)(H,43,61)(H,44,57)(H,45,59)(H,46,56)(H,47,60)(H,48,58)(H,49,53)(H,54,55)(H,63,64)/t20?,21-,22-,23-,24-,25-,26-,27-,31-/m0/s1
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1.53E+4 -27.2n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17343
PNG
((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H67N11O14/c1-5-20(2)31(49-29(53)18-50-17-9-7-11-25(38(50)62)46-32(56)21(3)41)37(61)43-22(4)33(57)44-24(12-14-28(42)52)35(59)45-23(10-6-8-16-40)34(58)48-27(19-51)36(60)47-26(39(63)64)13-15-30(54)55/h20-27,31,51H,5-19,40-41H2,1-4H3,(H2,42,52)(H,43,61)(H,44,57)(H,45,59)(H,46,56)(H,47,60)(H,48,58)(H,49,53)(H,54,55)(H,63,64)/t20?,21-,22-,23-,24-,25-,26-,27-,31-/m0/s1
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3.98E+4 -24.9n/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...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair