Found 20 hits of kd data for polymerid = 6958 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Menin
(Homo sapiens (Human)) | BDBM50489222
(CHEMBL2314822)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCCCCCCCNC2=O)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r| Show InChI InChI=1S/C86H107F2N17O18/c87-53-40-50(41-54(88)45-53)42-67-80(116)105-34-12-20-69(105)78(114)103-85(27-13-28-85)82(118)102-65(18-10-31-96-84(91)92)79(115)104-33-11-19-68(104)77(113)93-29-8-4-2-1-3-5-16-64(75(111)101-67)99-76(112)66(46-55-43-51-14-6-7-15-62(51)97-55)100-74(110)63(17-9-30-95-83(89)90)98-72(108)49-121-39-38-120-37-36-119-35-32-94-73(109)52-21-24-59-58(44-52)81(117)123-86(59)60-25-22-56(106)47-70(60)122-71-48-57(107)23-26-61(71)86/h6-7,14-15,21-26,40-41,43-45,47-48,63-69,97,106-107H,1-5,8-13,16-20,27-39,42,46,49H2,(H,93,113)(H,94,109)(H,98,108)(H,99,112)(H,100,110)(H,101,111)(H,102,118)(H,103,114)(H4,89,90,95)(H4,91,92,96)/t63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
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| Article
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| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay |
J Med Chem 56: 1113-23 (2013)
Article DOI: 10.1021/jm3015298
BindingDB Entry DOI: 10.7270/Q22B91XM |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50156122
(CHEMBL3781030)Show SMILES Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N Show InChI InChI=1S/C27H25F3N8OS/c28-27(29,30)9-21-7-22-25(32-15-33-26(22)40-21)36-19-1-3-37(4-2-19)14-18-5-17-6-20(10-31)38(23(17)8-24(18)39)13-16-11-34-35-12-16/h5-8,11-12,15,19,39H,1-4,9,13-14H2,(H,34,35)(H,32,33,36) | PDB
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| n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) |
J Med Chem 59: 892-913 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01305
BindingDB Entry DOI: 10.7270/Q2M32XM7 |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50455873
(CHEMBL4216801)Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(C[C@@H]3CNC(=O)CO3)c(cc12)C#N |r| Show InChI InChI=1S/C29H30F3N7O2S/c1-17-18(2-3-25-23(17)8-20(11-33)39(25)14-21-12-34-26(40)15-41-21)13-38-6-4-19(5-7-38)37-27-24-9-22(10-29(30,31)32)42-28(24)36-16-35-27/h2-3,8-9,16,19,21H,4-7,10,12-15H2,1H3,(H,34,40)(H,35,36,37)/t21-/m0/s1 | PDB
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| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human C-terminal Avi-tagged menin expressed in Escherichia coli BL21 (DE3) cells by bio-layer interferometry |
J Med Chem 61: 4832-4850 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00071
BindingDB Entry DOI: 10.7270/Q2Z03BRF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50454124
(CHEMBL3780822)Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(Cc3cn[nH]c3)c(cc12)C#N Show InChI InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37) | PDB
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| n/a | n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) by isothermal titration calorimetry |
Bioorg Med Chem 26: 356-365 (2018)
Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50156122
(CHEMBL3781030)Show SMILES Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N Show InChI InChI=1S/C27H25F3N8OS/c28-27(29,30)9-21-7-22-25(32-15-33-26(22)40-21)36-19-1-3-37(4-2-19)14-18-5-17-6-20(10-31)38(23(17)8-24(18)39)13-16-11-34-35-12-16/h5-8,11-12,15,19,39H,1-4,9,13-14H2,(H,34,35)(H,32,33,36) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetry |
J Med Chem 62: 6015-6034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50455873
(CHEMBL4216801)Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(C[C@@H]3CNC(=O)CO3)c(cc12)C#N |r| Show InChI InChI=1S/C29H30F3N7O2S/c1-17-18(2-3-25-23(17)8-20(11-33)39(25)14-21-12-34-26(40)15-41-21)13-38-6-4-19(5-7-38)37-27-24-9-22(10-29(30,31)32)42-28(24)36-16-35-27/h2-3,8-9,16,19,21H,4-7,10,12-15H2,1H3,(H,34,40)(H,35,36,37)/t21-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetry |
J Med Chem 62: 6015-6034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50455859
(CHEMBL3780895)Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2[nH]c(cc12)C#N Show InChI InChI=1S/C24H23F3N6S/c1-14-15(2-3-21-19(14)8-17(11-28)31-21)12-33-6-4-16(5-7-33)32-22-20-9-18(10-24(25,26)27)34-23(20)30-13-29-22/h2-3,8-9,13,16,31H,4-7,10,12H2,1H3,(H,29,30,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetry |
J Med Chem 62: 6015-6034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50454124
(CHEMBL3780822)Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(Cc3cn[nH]c3)c(cc12)C#N Show InChI InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetry |
J Med Chem 62: 6015-6034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50489223
(CHEMBL2314821)Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21C2C=CC(O)=CC2Oc2cc(O)ccc12)C(N)=O |r,c:166,169| Show InChI InChI=1S/C115H167N35O26/c1-63(137-105(170)87-35-23-53-150(87)108(173)84(54-66-24-7-4-8-25-66)147-101(166)81(32-20-50-133-113(123)124)143-102(167)83(57-69-55-67-26-11-12-27-76(67)139-69)146-100(165)80(31-19-49-132-112(121)122)144-103(168)85(62-151)138-65(3)153)96(161)145-82(33-21-51-134-114(125)126)107(172)149-52-22-34-86(149)104(169)135-61-93(159)148-94(64(2)152)106(171)136-60-92(158)141-79(30-18-48-131-111(119)120)99(164)142-78(29-17-47-130-110(117)118)98(163)129-45-15-5-9-36-90(156)127-44-14-6-10-37-91(157)140-77(95(116)160)28-13-16-46-128-97(162)68-38-41-73-72(56-68)109(174)176-115(73)74-42-39-70(154)58-88(74)175-89-59-71(155)40-43-75(89)115/h4,7-8,11-12,24-27,38-43,55-56,58-59,63-64,74,77-88,94,139,151-152,154-155H,5-6,9-10,13-23,28-37,44-54,57,60-62H2,1-3H3,(H2,116,160)(H,127,156)(H,128,162)(H,129,163)(H,135,169)(H,136,171)(H,137,170)(H,138,153)(H,140,157)(H,141,158)(H,142,164)(H,143,167)(H,144,168)(H,145,161)(H,146,165)(H,147,166)(H,148,159)(H4,117,118,130)(H4,119,120,131)(H4,121,122,132)(H4,123,124,133)(H4,125,126,134)/t63-,64+,74?,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,94-,115?/m0/s1 | PDB
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| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay |
J Med Chem 56: 1113-23 (2013)
Article DOI: 10.1021/jm3015298
BindingDB Entry DOI: 10.7270/Q22B91XM |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50454122
(CHEMBL4206413)Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(cc12)C(F)(F)F |c:4| Show InChI InChI=1S/C16H18F3N5S2/c1-15(2)8-20-14(26-15)24-5-3-23(4-6-24)12-10-7-11(16(17,18)19)25-13(10)22-9-21-12/h7,9H,3-6,8H2,1-2H3 | PDB
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| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) by isothermal titration calorimetry |
Bioorg Med Chem 26: 356-365 (2018)
Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50455876
(CHEMBL4217916)Show SMILES Cc1c(CN2CCC(CC2)Nc2ncnc3sc(CC(F)(F)F)cc23)ccc2n(Cc3cc[nH]n3)c(cc12)C#N Show InChI InChI=1S/C28H27F3N8S/c1-17-18(2-3-25-23(17)10-21(13-32)39(25)15-20-4-7-35-37-20)14-38-8-5-19(6-9-38)36-26-24-11-22(12-28(29,30)31)40-27(24)34-16-33-26/h2-4,7,10-11,16,19H,5-6,8-9,12,14-15H2,1H3,(H,35,37)(H,33,34,36) | PDB
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human C-terminal Avi-tagged menin expressed in Escherichia coli BL21 (DE3) cells by bio-layer interferometry |
J Med Chem 61: 4832-4850 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00071
BindingDB Entry DOI: 10.7270/Q2Z03BRF |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50156121
(CHEMBL3780497)Show SMILES FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5[nH]c(cc5c4)C#N)CC3)ncnc2s1 Show InChI InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31) | PDB
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| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) |
J Med Chem 59: 892-913 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01305
BindingDB Entry DOI: 10.7270/Q2M32XM7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50540837
(CHEMBL4647785)Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C87H138N36O23/c1-45(113-77(140)60-26-15-33-123(60)81(144)58(34-48-16-5-4-6-17-48)119-74(137)54(22-11-29-101-85(93)94)115-75(138)57(35-49-36-104-52-20-8-7-18-50(49)52)118-72(135)51(88)19-9-27-99-83(89)90)71(134)116-55(23-12-30-102-86(95)96)80(143)122-32-14-25-59(122)76(139)111-44-68(133)120-70(47(3)125)79(142)121-69(46(2)124)78(141)112-42-66(131)109-40-64(129)107-38-62(127)105-37-61(126)106-39-63(128)108-41-65(130)110-43-67(132)114-53(21-10-28-100-84(91)92)73(136)117-56(82(145)146)24-13-31-103-87(97)98/h4-8,16-18,20,36,45-47,51,53-60,69-70,104,124-125H,9-15,19,21-35,37-44,88H2,1-3H3,(H,105,127)(H,106,126)(H,107,129)(H,108,128)(H,109,131)(H,110,130)(H,111,139)(H,112,141)(H,113,140)(H,114,132)(H,115,138)(H,116,134)(H,117,136)(H,118,135)(H,119,137)(H,120,133)(H,121,142)(H,145,146)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)/t45-,46+,47+,51-,53-,54-,55-,56-,57-,58-,59-,60-,69-,70-/m0/s1 | PDB
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| n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a |
University of Naples "Federico II"
Curated by ChEMBL
| Assay Description
Binding affinity to human Menin expressed in Escherichia coli BL21 (DE3) assessed as inhibition of Menin/MLL1 protein-protein at 20 degree C by isoth... |
ACS Med Chem Lett 11: 1047-1053 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00620
BindingDB Entry DOI: 10.7270/Q20K2D3J |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50496327
(CHEMBL3126198)Show SMILES N[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2/t27-/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human menin by isothermal titration calorimetric analysis |
J Med Chem 57: 1543-56 (2014)
Article DOI: 10.1021/jm401868d
BindingDB Entry DOI: 10.7270/Q2XS5ZCB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM152235
(US8993552, 70)Show SMILES CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:21| Show InChI InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3 | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) by isothermal titration calorimetry |
Bioorg Med Chem 26: 356-365 (2018)
Article DOI: 10.1016/j.bmc.2017.11.045
BindingDB Entry DOI: 10.7270/Q2SQ92ZS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50496328
(CHEMBL3126187)Show SMILES O[C@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1 | PDB
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| PDB
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| n/a | n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human menin by isothermal titration calorimetric analysis |
J Med Chem 57: 1543-56 (2014)
Article DOI: 10.1021/jm401868d
BindingDB Entry DOI: 10.7270/Q2XS5ZCB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50496340
(CHEMBL3124953)Show SMILES O[C@@](C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m0/s1 | PDB
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| n/a | n/a | n/a | 952 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human menin by isothermal titration calorimetric analysis |
J Med Chem 57: 1543-56 (2014)
Article DOI: 10.1021/jm401868d
BindingDB Entry DOI: 10.7270/Q2XS5ZCB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50516582
(CHEMBL4449381)Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@]1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r| Show InChI InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1 | PDB
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| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Menin (unknown origin) by biolayer interferometry assay |
J Med Chem 62: 6015-6034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Menin
(Homo sapiens (Human)) | BDBM50366388
(NEOMYCIN | NEOMYCIN A)Show SMILES NCC1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@@H](N)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7+,8?,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-/m0/s1 | PDB
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| n/a | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a |
Fuzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis |
Bioorg Med Chem Lett 24: 2090-3 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.055
BindingDB Entry DOI: 10.7270/Q27M09G0 |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50496346
(CHEMBL3126196)Show SMILES NC(C1CCCC1)(C1CCN(CCCOc2ccc(cc2)C#N)CC1)c1ccccc1 Show InChI InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2 | PDB
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UniChem
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| n/a | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated Menin (unknown origin) by biolayer interferometry assay |
J Med Chem 62: 6015-6034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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