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Compile Data Set for Download or QSAR

Found 13 hits of ic50 data for polymerid = 50003326   
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
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116990
PNG
(CHEMBL266681 | PFDEDQHTQITWV)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C73H102N18O24/c1-7-35(4)58(70(111)91-60(37(6)93)72(113)87-48(68(109)88-57(34(2)3)73(114)115)27-39-31-78-42-17-12-11-16-41(39)42)89-64(105)45(20-23-53(75)95)82-71(112)59(36(5)92)90-69(110)49(28-40-32-76-33-79-40)84-62(103)44(19-22-52(74)94)80-66(107)50(29-55(98)99)85-63(104)46(21-24-54(96)97)81-67(108)51(30-56(100)101)86-65(106)47(26-38-14-9-8-10-15-38)83-61(102)43-18-13-25-77-43/h8-12,14-17,31-37,43-51,57-60,77-78,92-93H,7,13,18-30H2,1-6H3,(H2,74,94)(H2,75,95)(H,76,79)(H,80,107)(H,81,108)(H,82,112)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,113)(H,88,109)(H,89,105)(H,90,110)(H,91,111)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t35-,36+,37+,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-,59-,60-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116993
PNG
(AcHTQITWV-OH | CHEMBL311026)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C43H63N11O12/c1-8-21(4)34(52-37(59)29(13-14-32(44)58)49-41(63)35(22(5)55)53-39(61)31(48-24(7)57)16-26-18-45-19-47-26)40(62)54-36(23(6)56)42(64)50-30(38(60)51-33(20(2)3)43(65)66)15-25-17-46-28-12-10-9-11-27(25)28/h9-12,17-23,29-31,33-36,46,55-56H,8,13-16H2,1-7H3,(H2,44,58)(H,45,47)(H,48,57)(H,49,63)(H,50,64)(H,51,60)(H,52,59)(H,53,61)(H,54,62)(H,65,66)/t21-,22+,23+,29-,30-,31-,33-,34-,35-,36-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116986
PNG
(AcQITWV-OH | CHEMBL2369910)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C33H49N7O9/c1-7-17(4)27(39-29(44)23(36-19(6)42)12-13-25(34)43)31(46)40-28(18(5)41)32(47)37-24(30(45)38-26(16(2)3)33(48)49)14-20-15-35-22-11-9-8-10-21(20)22/h8-11,15-18,23-24,26-28,35,41H,7,12-14H2,1-6H3,(H2,34,43)(H,36,42)(H,37,47)(H,38,45)(H,39,44)(H,40,46)(H,48,49)/t17-,18+,23-,24-,26-,27-,28-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366789
PNG
(CHEMBL2369613)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C37H56N8O12/c1-7-18(4)29(44-32(51)24(12-13-27(38)50)41-35(54)30(19(5)47)40-20(6)48)34(53)45-31(26(49)16-46)36(55)42-25(33(52)43-28(17(2)3)37(56)57)14-21-15-39-23-11-9-8-10-22(21)23/h8-11,15,17-19,24-26,28-31,39,46-47,49H,7,12-14,16H2,1-6H3,(H2,38,50)(H,40,48)(H,41,54)(H,42,55)(H,43,52)(H,44,51)(H,45,53)(H,56,57)/t18-,19+,24-,25-,26-,28-,29-,30-,31-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116988
PNG
(AcTQITWV-OH | CHEMBL310546)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C37H56N8O11/c1-8-18(4)29(44-32(50)25(13-14-27(38)49)41-35(53)30(19(5)46)40-21(7)48)34(52)45-31(20(6)47)36(54)42-26(33(51)43-28(17(2)3)37(55)56)15-22-16-39-24-12-10-9-11-23(22)24/h9-12,16-20,25-26,28-31,39,46-47H,8,13-15H2,1-7H3,(H2,38,49)(H,40,48)(H,41,53)(H,42,54)(H,43,51)(H,44,50)(H,45,52)(H,55,56)/t18-,19+,20+,25-,26-,28-,29-,30-,31-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366792
PNG
(CHEMBL1790641)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H58N8O11/c1-9-19(4)30(44-34(52)27(14-15-28(39)50)46(8)37(55)32(21(6)48)41-22(7)49)35(53)45-31(20(5)47)36(54)42-26(33(51)43-29(18(2)3)38(56)57)16-23-17-40-25-13-11-10-12-24(23)25/h10-13,17-21,26-27,29-32,40,47-48H,9,14-16H2,1-8H3,(H2,39,50)(H,41,49)(H,42,54)(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t19-,20-,21-,26-,27-,29-,30-,31-,32-/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366791
PNG
(CHEMBL1790640)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H58N8O11/c1-9-19(4)30(44-33(51)26(14-15-28(39)50)42-36(54)31(20(5)47)41-22(7)49)35(53)45-32(21(6)48)37(55)46(8)27(34(52)43-29(18(2)3)38(56)57)16-23-17-40-25-13-11-10-12-24(23)25/h10-13,17-21,26-27,29-32,40,47-48H,9,14-16H2,1-8H3,(H2,39,50)(H,41,49)(H,42,54)(H,43,52)(H,44,51)(H,45,53)(H,56,57)/t19-,20-,21-,26-,27-,29-,30-,31-,32-/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116992
PNG
(CHEMBL407790 | PFDEDQHTQIAKV)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C67H102N18O23/c1-7-33(4)53(65(105)74-34(5)55(95)75-39(16-11-12-24-68)59(99)83-52(32(2)3)67(107)108)84-60(100)41(19-22-48(70)88)78-66(106)54(35(6)86)85-64(104)44(27-37-30-71-31-73-37)80-57(97)40(18-21-47(69)87)76-62(102)45(28-50(91)92)81-58(98)42(20-23-49(89)90)77-63(103)46(29-51(93)94)82-61(101)43(26-36-14-9-8-10-15-36)79-56(96)38-17-13-25-72-38/h8-10,14-15,30-35,38-46,52-54,72,86H,7,11-13,16-29,68H2,1-6H3,(H2,69,87)(H2,70,88)(H,71,73)(H,74,105)(H,75,95)(H,76,102)(H,77,103)(H,78,106)(H,79,96)(H,80,97)(H,81,98)(H,82,101)(H,83,99)(H,84,100)(H,85,104)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t33-,34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-,54-/m0/s1
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n/an/a 1.44E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116996
PNG
(AcITWV-OH | CHEMBL310151)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C28H41N5O7/c1-7-15(4)23(30-17(6)35)26(37)33-24(16(5)34)27(38)31-21(25(36)32-22(14(2)3)28(39)40)12-18-13-29-20-11-9-8-10-19(18)20/h8-11,13-16,21-24,29,34H,7,12H2,1-6H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)(H,39,40)/t15-,16+,21-,22-,23-,24-/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366795
PNG
(CHEMBL1790638)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H58N8O11/c1-9-19(4)32(46(8)37(55)26(14-15-28(39)50)42-34(52)30(20(5)47)41-22(7)49)36(54)45-31(21(6)48)35(53)43-27(33(51)44-29(18(2)3)38(56)57)16-23-17-40-25-13-11-10-12-24(23)25/h10-13,17-21,26-27,29-32,40,47-48H,9,14-16H2,1-8H3,(H2,39,50)(H,41,49)(H,42,52)(H,43,53)(H,44,51)(H,45,54)(H,56,57)/t19-,20-,21-,26-,27-,29-,30-,31-,32-/m0/s1
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n/an/a 2.04E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366790
PNG
(CHEMBL1790639)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N(C)[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H58N8O11/c1-9-19(4)30(45-33(51)26(14-15-28(39)50)42-35(53)31(20(5)47)41-22(7)49)37(55)46(8)32(21(6)48)36(54)43-27(34(52)44-29(18(2)3)38(56)57)16-23-17-40-25-13-11-10-12-24(23)25/h10-13,17-21,26-27,29-32,40,47-48H,9,14-16H2,1-8H3,(H2,39,50)(H,41,49)(H,42,53)(H,43,54)(H,44,52)(H,45,51)(H,56,57)/t19-,20-,21-,26-,27-,29-,30-,31-,32-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366793
PNG
(CHEMBL1790636)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H58N8O11/c1-9-19(4)30(44-33(51)25(14-15-28(39)50)41-36(54)31(20(5)47)40-22(7)49)35(53)45-32(21(6)48)37(55)42-26(34(52)43-29(18(2)3)38(56)57)16-23-17-46(8)27-13-11-10-12-24(23)27/h10-13,17-21,25-26,29-32,47-48H,9,14-16H2,1-8H3,(H2,39,50)(H,40,49)(H,41,54)(H,42,55)(H,43,52)(H,44,51)(H,45,53)(H,56,57)/t19-,20-,21-,25-,26-,29-,30-,31-,32+/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50366794
PNG
(CHEMBL1790637)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C37H57N9O11/c1-8-18(4)29(44-32(51)25(13-14-27(38)50)41-35(54)30(19(5)47)40-21(7)49)34(53)45-31(20(6)48)36(55)42-26(33(52)43-28(17(2)3)37(56)46-57)15-22-16-39-24-12-10-9-11-23(22)24/h9-12,16-20,25-26,28-31,39,47-48,57H,8,13-15H2,1-7H3,(H2,38,50)(H,40,49)(H,41,54)(H,42,55)(H,43,52)(H,44,51)(H,45,53)(H,46,56)/t18-,19-,20-,25-,26-,28-,29-,30-,31+/m0/s1
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PubMed
n/an/a 4.21E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair