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Compile Data Set for Download or QSAR

Found 14 hits of affinity data for UniProtKB/TrEMBL: Q9HD26   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555255
PNG
(CHEMBL4777388)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
Show InChI InChI=1S/C74H113N23O14S3/c1-39(98)55(65(107)91-49(24-17-32-86-72(81)82)61(103)96-57(68(110)111)73(3,4)5)94-66(108)56(74(6,7)113)95-64(106)53-25-12-13-33-97(53)67(109)51(36-44-38-114-54-26-11-10-20-45(44)54)93-62(104)50(35-41-27-28-42-18-8-9-19-43(42)34-41)92-60(102)48(23-16-31-85-71(79)80)89-58(100)46(21-14-29-83-69(75)76)88-59(101)47(22-15-30-84-70(77)78)90-63(105)52(37-112)87-40(2)99/h8-11,18-20,26-28,34,38-39,46-53,55-57,98,112-113H,12-17,21-25,29-33,35-37H2,1-7H3,(H,87,99)(H,88,101)(H,89,100)(H,90,105)(H,91,107)(H,92,102)(H,93,104)(H,94,108)(H,95,106)(H,96,103)(H,110,111)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t39-,46+,47-,48+,49+,50+,51+,52+,53+,55+,56-,57-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555247
PNG
(CHEMBL4789394)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555248
PNG
(CHEMBL4779439)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555251
PNG
(CHEMBL4739952)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555254
PNG
(CHEMBL4753496)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
Show InChI InChI=1S/C74H115N23O14S3/c1-38(98)53(64(107)91-48(25-18-32-86-71(81)82)60(103)97-56(67(110)111)73(6,7)8)94-65(108)54(72(3,4)5)95-66(109)55(74(9,10)113)96-62(105)50(35-43-37-114-52-26-14-13-21-44(43)52)93-61(104)49(34-40-27-28-41-19-11-12-20-42(41)33-40)92-59(102)47(24-17-31-85-70(79)80)89-57(100)45(22-15-29-83-68(75)76)88-58(101)46(23-16-30-84-69(77)78)90-63(106)51(36-112)87-39(2)99/h11-14,19-21,26-28,33,37-38,45-51,53-56,98,112-113H,15-18,22-25,29-32,34-36H2,1-10H3,(H,87,99)(H,88,101)(H,89,100)(H,90,106)(H,91,107)(H,92,102)(H,93,104)(H,94,108)(H,95,109)(H,96,105)(H,97,103)(H,110,111)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t38-,45+,46-,47+,48+,49+,50+,51+,53+,54-,55-,56-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555252
PNG
(CHEMBL4795173)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555249
PNG
(CHEMBL4798520)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555253
PNG
(CHEMBL4792301)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555250
PNG
(CHEMBL4752826)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555246
PNG
(CHEMBL4790861)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(C)=O)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe b...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555259
PNG
(CHEMBL4756359)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
Show InChI InChI=1S/C99H133N25O21S4/c1-52(125)77(87(136)118-68(23-16-37-111-95(106)107)83(132)123-79(90(139)140)97(2,3)4)121-88(137)78(98(5,6)148)122-86(135)72-24-11-12-39-124(72)89(138)70(45-56-51-149-75-25-10-9-19-60(56)75)120-84(133)69(44-53-26-27-54-17-7-8-18-55(54)43-53)119-82(131)67(22-15-36-110-94(104)105)116-80(129)65(20-13-34-108-92(100)101)115-81(130)66(21-14-35-109-93(102)103)117-85(134)71(50-146)114-76(128)49-143-42-41-142-40-38-112-96(147)113-57-28-31-62-61(46-57)91(141)145-99(62)63-32-29-58(126)47-73(63)144-74-48-59(127)30-33-64(74)99/h7-10,17-19,25-33,43,46-48,51-52,65-72,77-79,125-127,146,148H,11-16,20-24,34-42,44-45,49-50H2,1-6H3,(H,114,128)(H,115,130)(H,116,129)(H,117,134)(H,118,136)(H,119,131)(H,120,133)(H,121,137)(H,122,135)(H,123,132)(H,139,140)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)(H2,112,113,147)/t52-,65+,66-,67+,68+,69+,70+,71+,72+,77+,78-,79-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence pola...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555256
PNG
(CHEMBL4756115)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence pola...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555257
PNG
(CHEMBL4763464)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
Show InChI InChI=1S/C99H134N24O22S3/c1-51(124)75(87(136)117-67(24-17-37-112-95(106)107)83(132)123-78(90(139)140)97(5,6)7)120-88(137)76(96(2,3)4)121-89(138)77(98(8,9)147)122-85(134)69(45-56-50-148-73-25-13-12-20-59(56)73)119-84(133)68(43-52-26-27-53-18-10-11-19-54(53)42-52)118-82(131)66(23-16-36-111-94(104)105)115-80(129)64(21-14-34-109-92(100)101)114-81(130)65(22-15-35-110-93(102)103)116-86(135)70(49-146)113-74(127)48-143-41-40-142-39-38-108-79(128)55-28-31-61-60(44-55)91(141)145-99(61)62-32-29-57(125)46-71(62)144-72-47-58(126)30-33-63(72)99/h10-13,18-20,25-33,42,44,46-47,50-51,64-70,75-78,124-126,146-147H,14-17,21-24,34-41,43,45,48-49H2,1-9H3,(H,108,128)(H,113,127)(H,114,130)(H,115,129)(H,116,135)(H,117,136)(H,118,131)(H,119,133)(H,120,137)(H,121,138)(H,122,134)(H,123,132)(H,139,140)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t51-,64+,65-,66+,67+,68+,69+,70+,75+,76-,77-,78-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence pola...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein


(Homo sapiens)
BDBM50555258
PNG
(CHEMBL4789294)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
Show InChI InChI=1S/C98H131N25O21S4/c1-51(124)76(86(135)117-67(22-14-36-110-94(105)106)82(131)122-78(89(138)139)96(2,3)4)120-87(136)77(97(5,6)147)121-85(134)71-23-15-38-123(71)88(137)69(44-55-50-148-74-24-10-9-18-59(55)74)119-83(132)68(43-52-25-26-53-16-7-8-17-54(53)42-52)118-81(130)66(21-13-35-109-93(103)104)115-79(128)64(19-11-33-107-91(99)100)114-80(129)65(20-12-34-108-92(101)102)116-84(133)70(49-145)113-75(127)48-142-41-40-141-39-37-111-95(146)112-56-27-30-61-60(45-56)90(140)144-98(61)62-31-28-57(125)46-72(62)143-73-47-58(126)29-32-63(73)98/h7-10,16-18,24-32,42,45-47,50-51,64-71,76-78,124-126,145,147H,11-15,19-23,33-41,43-44,48-49H2,1-6H3,(H,113,127)(H,114,129)(H,115,128)(H,116,133)(H,117,135)(H,118,130)(H,119,132)(H,120,136)(H,121,134)(H,122,131)(H,138,139)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)(H2,111,112,146)/t51-,64+,65-,66+,67+,68+,69+,70+,71+,76+,77-,78-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 87n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence pola...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair