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29 similar compounds to monomer 51866

Wt: 1059.7
BDBM128144
Wt: 1059.7
BDBM51861
Wt: 1034.6
BDBM51862
Wt: 1094.7
BDBM51863
Wt: 1117.7
BDBM51864
Wt: 1018.6
BDBM51867
Wt: 1094.7
BDBM51868
Wt: 1094.7
BDBM51869
Wt: 1094.7
BDBM51870
Wt: 1144.7
BDBM51873
Wt: 1094.7
BDBM51874
Wt: 1044.7
BDBM51887
Wt: 1144.7
BDBM51888
Wt: 1068.6
BDBM51889
Wt: 1167.7
BDBM51858
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 128144,51861,51862,51863,51864,51867,51868,51869,51870,51873,51874,51887,51888,51889,51858   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128144
PNG
(LK-LW | MLS000562557 | SMR000391052 | cid_25102312)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-24-72-26-28-74-29-27-73-25-15-55-49-57-50(66-20-16-64(17-21-66)47(70)45(13-9-10-14-52)68-34-43(60-62-68)40(53)30-36(2)3)59-51(58-49)67-22-18-65(19-23-67)48(71)46(33-39-32-38-11-7-8-12-42(38)56-39)69-35-44(61-63-69)41(54)31-37(4)5;/h1,7-8,11-12,32,34-37,40-41,45-46,56H,9-10,13-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t40-,41-,45-,46-;/m0./s1
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n/an/a>9.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51862
PNG
(MLS000562590 | SE-IW | SMR000391109 | cid_16196536)
Show SMILES Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO
Show InChI InChI=1S/C47H67N17O8.ClH/c1-4-21-70-23-25-72-26-24-71-22-12-50-45-52-46(61-17-13-59(14-18-61)43(68)39(10-11-41(66)67)63-29-37(55-57-63)35(48)31-65)54-47(53-45)62-19-15-60(16-20-62)44(69)40(28-34-27-33-8-6-7-9-36(33)51-34)64-30-38(56-58-64)42(49)32(3)5-2;/h1,6-9,27,29-30,32,35,39-40,42,51,65H,5,10-26,28,31,48-49H2,2-3H3,(H,66,67)(H,50,52,53,54);1H/t32-,35?,39+,40+,42?;/m1./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51863
PNG
(LY-LW | MLS000562563 | SMR000391059 | cid_16196543)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,48-,49-;/m0./s1
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n/an/an/an/a 5.14E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51864
PNG
(IW-IW | MLS000562565 | SMR000391068 | cid_16196557)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-26-77-28-30-79-31-29-78-27-17-59-54-62-55(71-22-18-69(19-23-71)52(75)48(34-42-32-40-13-9-11-15-44(40)60-42)73-36-46(65-67-73)50(57)38(4)7-2)64-56(63-54)72-24-20-70(21-25-72)53(76)49(35-43-33-41-14-10-12-16-45(41)61-43)74-37-47(66-68-74)51(58)39(5)8-3;/h1,9-16,32-33,36-39,48-51,60-61H,7-8,17-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H
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n/an/an/an/a 1.75E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51867
PNG
(MLS000562538 | SI-IW | SMR000391120 | cid_16196580)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51868
PNG
(MLS000562841 | SMR000391160 | YI-IW | cid_16196582)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-26-75-28-30-77-31-29-76-27-17-57-52-59-53(68-22-18-66(19-23-68)50(73)47(34-41-33-40-11-9-10-12-44(40)58-41)70-36-46(63-64-70)48(56)37(4)7-2)61-54(60-52)69-24-20-67(21-25-69)51(74)49(38(5)8-3)71-35-45(62-65-71)43(55)32-39-13-15-42(72)16-14-39;/h1,9-16,33,35-38,43,47-49,58,72H,7-8,17-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t37?,38-,43-,47-,48-,49-;/m0./s1
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n/an/an/an/a 3.73E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51869
PNG
(MLS000562843 | SMR000391141 | YW-LI | cid_16196586)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(61-54(60-52)69-23-19-67(20-24-69)51(74)49(38(5)7-2)71-36-47(63-65-71)43(55)31-37(3)4)68-21-17-66(18-22-68)50(73)48(34-41-33-40-10-8-9-11-45(40)58-41)70-35-46(62-64-70)44(56)32-39-12-14-42(72)15-13-39;/h1,8-15,33,35-38,43-44,48-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38-,43-,44-,48-,49-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51870
PNG
(IW-LY | MLS000562575 | SMR000391067 | cid_16196590)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)70-35-45(62-64-70)43(55)31-37(3)4)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)71-36-46(63-65-71)49(56)38(5)7-2;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51873
PNG
(MLS000562837 | SMR000391145 | YW-LY | cid_16196610)
Show SMILES Cl.CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-26-79-28-30-81-31-29-80-27-17-60-55-62-56(71-22-18-69(19-23-71)53(77)51(34-41-11-15-45(76)16-12-41)73-37-49(65-67-73)46(58)32-39(2)3)64-57(63-55)72-24-20-70(21-25-72)54(78)52(36-43-35-42-7-5-6-8-48(42)61-43)74-38-50(66-68-74)47(59)33-40-9-13-44(75)14-10-40;/h1,5-16,35,37-39,46-47,51-52,61,75-76H,17-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H
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n/an/an/an/a 6.12E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51874
PNG
(IY-LW | MLS000562549 | SMR000391085 | cid_16196636)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)71-36-46(63-65-71)49(56)38(5)7-2)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)70-35-45(62-64-70)43(55)31-37(3)4;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38?,43-,47-,48-,49-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/an/an/a 3.78E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/an/an/a 1.03E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51862
PNG
(MLS000562590 | SE-IW | SMR000391109 | cid_16196536)
Show SMILES Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO
Show InChI InChI=1S/C47H67N17O8.ClH/c1-4-21-70-23-25-72-26-24-71-22-12-50-45-52-46(61-17-13-59(14-18-61)43(68)39(10-11-41(66)67)63-29-37(55-57-63)35(48)31-65)54-47(53-45)62-19-15-60(16-20-62)44(69)40(28-34-27-33-8-6-7-9-36(33)51-34)64-30-38(56-58-64)42(49)32(3)5-2;/h1,6-9,27,29-30,32,35,39-40,42,51,65H,5,10-26,28,31,48-49H2,2-3H3,(H,66,67)(H,50,52,53,54);1H/t32-,35?,39+,40+,42?;/m1./s1
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51863
PNG
(LY-LW | MLS000562563 | SMR000391059 | cid_16196543)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,48-,49-;/m0./s1
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51864
PNG
(IW-IW | MLS000562565 | SMR000391068 | cid_16196557)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-26-77-28-30-79-31-29-78-27-17-59-54-62-55(71-22-18-69(19-23-71)52(75)48(34-42-32-40-13-9-11-15-44(40)60-42)73-36-46(65-67-73)50(57)38(4)7-2)64-56(63-54)72-24-20-70(21-25-72)53(76)49(35-43-33-41-14-10-12-16-45(41)61-43)74-37-47(66-68-74)51(58)39(5)8-3;/h1,9-16,32-33,36-39,48-51,60-61H,7-8,17-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H
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n/an/an/an/a 4.10E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51867
PNG
(MLS000562538 | SI-IW | SMR000391120 | cid_16196580)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/m0./s1
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51868
PNG
(MLS000562841 | SMR000391160 | YI-IW | cid_16196582)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-26-75-28-30-77-31-29-76-27-17-57-52-59-53(68-22-18-66(19-23-68)50(73)47(34-41-33-40-11-9-10-12-44(40)58-41)70-36-46(63-64-70)48(56)37(4)7-2)61-54(60-52)69-24-20-67(21-25-69)51(74)49(38(5)8-3)71-35-45(62-65-71)43(55)32-39-13-15-42(72)16-14-39;/h1,9-16,33,35-38,43,47-49,58,72H,7-8,17-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t37?,38-,43-,47-,48-,49-;/m0./s1
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n/an/an/an/a 1.01E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51869
PNG
(MLS000562843 | SMR000391141 | YW-LI | cid_16196586)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(61-54(60-52)69-23-19-67(20-24-69)51(74)49(38(5)7-2)71-36-47(63-65-71)43(55)31-37(3)4)68-21-17-66(18-22-68)50(73)48(34-41-33-40-10-8-9-11-45(40)58-41)70-35-46(62-64-70)44(56)32-39-12-14-42(72)15-13-39;/h1,8-15,33,35-38,43-44,48-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38-,43-,44-,48-,49-;/m0./s1
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51870
PNG
(IW-LY | MLS000562575 | SMR000391067 | cid_16196590)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)70-35-45(62-64-70)43(55)31-37(3)4)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)71-36-46(63-65-71)49(56)38(5)7-2;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51873
PNG
(MLS000562837 | SMR000391145 | YW-LY | cid_16196610)
Show SMILES Cl.CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-26-79-28-30-81-31-29-80-27-17-60-55-62-56(71-22-18-69(19-23-71)53(77)51(34-41-11-15-45(76)16-12-41)73-37-49(65-67-73)46(58)32-39(2)3)64-57(63-55)72-24-20-70(21-25-72)54(78)52(36-43-35-42-7-5-6-8-48(42)61-43)74-38-50(66-68-74)47(59)33-40-9-13-44(75)14-10-40;/h1,5-16,35,37-39,46-47,51-52,61,75-76H,17-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H
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n/an/an/an/a 1.29E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51874
PNG
(IY-LW | MLS000562549 | SMR000391085 | cid_16196636)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)71-36-46(63-65-71)49(56)38(5)7-2)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)70-35-45(62-64-70)43(55)31-37(3)4;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38?,43-,47-,48-,49-;/m0./s1
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51887
PNG
(LIW-LI | MLS000562537 | SMR000391049 | cid_1674536...)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H77N17O5.ClH/c1-8-23-71-25-27-73-28-26-72-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(70)46(37(7)9-2)68-34-44(60-62-68)41(53)30-36(5)6)65-19-15-63(16-20-65)47(69)45(32-39-31-38-12-10-11-13-42(38)55-39)67-33-43(59-61-67)40(52)29-35(3)4;/h1,10-13,31,33-37,40-41,45-46,55H,9,14-30,32,52-53H2,2-7H3,(H,54,56,57,58);1H/t37-,40-,41-,45-,46-;/m0./s1
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n/an/an/an/a 2.09E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51888
PNG
(MLS000562858 | SMR000391149 | YW-IY | cid_16745383)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-27-79-29-31-81-32-30-80-28-18-60-55-62-56(71-23-19-69(20-24-71)53(77)50(34-41-12-16-45(76)17-13-41)74-38-49(66-68-74)52(59)39(3)5-2)64-57(63-55)72-25-21-70(22-26-72)54(78)51(36-43-35-42-8-6-7-9-47(42)61-43)73-37-48(65-67-73)46(58)33-40-10-14-44(75)15-11-40;/h1,6-17,35,37-39,46,50-52,61,75-76H,5,18-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H/t39?,46-,50-,51-,52-;/m0./s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51889
PNG
(MLS000562859 | SMR000391152 | YW-SI | cid_16745385)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C51H69N17O7.ClH/c1-4-23-73-25-27-75-28-26-74-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(72)46(35(3)5-2)68-33-44(60-62-68)41(53)34-69)65-19-15-63(16-20-65)47(71)45(31-38-30-37-8-6-7-9-42(37)55-38)67-32-43(59-61-67)40(52)29-36-10-12-39(70)13-11-36;/h1,6-13,30,32-33,35,40-41,45-46,55,69-70H,5,14-29,31,34,52-53H2,2-3H3,(H,54,56,57,58);1H/t35-,40-,41-,45-,46-;/m0./s1
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n/an/an/an/a 620n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51887
PNG
(LIW-LI | MLS000562537 | SMR000391049 | cid_1674536...)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H77N17O5.ClH/c1-8-23-71-25-27-73-28-26-72-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(70)46(37(7)9-2)68-34-44(60-62-68)41(53)30-36(5)6)65-19-15-63(16-20-65)47(69)45(32-39-31-38-12-10-11-13-42(38)55-39)67-33-43(59-61-67)40(52)29-35(3)4;/h1,10-13,31,33-37,40-41,45-46,55H,9,14-30,32,52-53H2,2-7H3,(H,54,56,57,58);1H/t37-,40-,41-,45-,46-;/m0./s1
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n/an/an/an/a 7.74E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51888
PNG
(MLS000562858 | SMR000391149 | YW-IY | cid_16745383)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-27-79-29-31-81-32-30-80-28-18-60-55-62-56(71-23-19-69(20-24-71)53(77)50(34-41-12-16-45(76)17-13-41)74-38-49(66-68-74)52(59)39(3)5-2)64-57(63-55)72-25-21-70(22-26-72)54(78)51(36-43-35-42-8-6-7-9-47(42)61-43)73-37-48(65-67-73)46(58)33-40-10-14-44(75)15-11-40;/h1,6-17,35,37-39,46,50-52,61,75-76H,5,18-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H/t39?,46-,50-,51-,52-;/m0./s1
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n/an/an/an/a 1.25E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51889
PNG
(MLS000562859 | SMR000391152 | YW-SI | cid_16745385)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C51H69N17O7.ClH/c1-4-23-73-25-27-75-28-26-74-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(72)46(35(3)5-2)68-33-44(60-62-68)41(53)34-69)65-19-15-63(16-20-65)47(71)45(31-38-30-37-8-6-7-9-42(37)55-38)67-32-43(59-61-67)40(52)29-36-10-12-39(70)13-11-36;/h1,6-13,30,32-33,35,40-41,45-46,55,69-70H,5,14-29,31,34,52-53H2,2-3H3,(H,54,56,57,58);1H/t35-,40-,41-,45-,46-;/m0./s1
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n/an/an/an/a 520n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM51864
PNG
(IW-IW | MLS000562565 | SMR000391068 | cid_16196557)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-26-77-28-30-79-31-29-78-27-17-59-54-62-55(71-22-18-69(19-23-71)52(75)48(34-42-32-40-13-9-11-15-44(40)60-42)73-36-46(65-67-73)50(57)38(4)7-2)64-56(63-54)72-24-20-70(21-25-72)53(76)49(35-43-33-41-14-10-12-16-45(41)61-43)74-37-47(66-68-74)51(58)39(5)8-3;/h1,9-16,32-33,36-39,48-51,60-61H,7-8,17-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H
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n/an/a 7.20E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


Citation and Details
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51888
PNG
(MLS000562858 | SMR000391149 | YW-IY | cid_16745383)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-27-79-29-31-81-32-30-80-28-18-60-55-62-56(71-23-19-69(20-24-71)53(77)50(34-41-12-16-45(76)17-13-41)74-38-49(66-68-74)52(59)39(3)5-2)64-57(63-55)72-25-21-70(22-26-72)54(78)51(36-43-35-42-8-6-7-9-47(42)61-43)73-37-48(65-67-73)46(58)33-40-10-14-44(75)15-11-40;/h1,6-17,35,37-39,46,50-52,61,75-76H,5,18-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H/t39?,46-,50-,51-,52-;/m0./s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51864
PNG
(IW-IW | MLS000562565 | SMR000391068 | cid_16196557)
Show SMILES Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-26-77-28-30-79-31-29-78-27-17-59-54-62-55(71-22-18-69(19-23-71)52(75)48(34-42-32-40-13-9-11-15-44(40)60-42)73-36-46(65-67-73)50(57)38(4)7-2)64-56(63-54)72-24-20-70(21-25-72)53(76)49(35-43-33-41-14-10-12-16-45(41)61-43)74-37-47(66-68-74)51(58)39(5)8-3;/h1,9-16,32-33,36-39,48-51,60-61H,7-8,17-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H
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n/an/a 2.93E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51869
PNG
(MLS000562843 | SMR000391141 | YW-LI | cid_16196586)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(61-54(60-52)69-23-19-67(20-24-69)51(74)49(38(5)7-2)71-36-47(63-65-71)43(55)31-37(3)4)68-21-17-66(18-22-68)50(73)48(34-41-33-40-10-8-9-11-45(40)58-41)70-35-46(62-64-70)44(56)32-39-12-14-42(72)15-13-39;/h1,8-15,33,35-38,43-44,48-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38-,43-,44-,48-,49-;/m0./s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/a 6.27E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51863
PNG
(LY-LW | MLS000562563 | SMR000391059 | cid_16196543)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,48-,49-;/m0./s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51867
PNG
(MLS000562538 | SI-IW | SMR000391120 | cid_16196580)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/m0./s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51869
PNG
(MLS000562843 | SMR000391141 | YW-LI | cid_16196586)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(61-54(60-52)69-23-19-67(20-24-69)51(74)49(38(5)7-2)71-36-47(63-65-71)43(55)31-37(3)4)68-21-17-66(18-22-68)50(73)48(34-41-33-40-10-8-9-11-45(40)58-41)70-35-46(62-64-70)44(56)32-39-12-14-42(72)15-13-39;/h1,8-15,33,35-38,43-44,48-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38-,43-,44-,48-,49-;/m0./s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51873
PNG
(MLS000562837 | SMR000391145 | YW-LY | cid_16196610)
Show SMILES Cl.CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C57H73N17O7.ClH/c1-4-26-79-28-30-81-31-29-80-27-17-60-55-62-56(71-22-18-69(19-23-71)53(77)51(34-41-11-15-45(76)16-12-41)73-37-49(65-67-73)46(58)32-39(2)3)64-57(63-55)72-24-20-70(21-25-72)54(78)52(36-43-35-42-7-5-6-8-48(42)61-43)74-38-50(66-68-74)47(59)33-40-9-13-44(75)14-10-40;/h1,5-16,35,37-39,46-47,51-52,61,75-76H,17-34,36,58-59H2,2-3H3,(H,60,62,63,64);1H
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51874
PNG
(IY-LW | MLS000562549 | SMR000391085 | cid_16196636)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-25-75-27-29-77-30-28-76-26-16-57-52-59-53(68-21-17-66(18-22-68)50(73)47(32-39-12-14-42(72)15-13-39)71-36-46(63-65-71)49(56)38(5)7-2)61-54(60-52)69-23-19-67(20-24-69)51(74)48(34-41-33-40-10-8-9-11-44(40)58-41)70-35-45(62-64-70)43(55)31-37(3)4;/h1,8-15,33,35-38,43,47-49,58,72H,7,16-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t38?,43-,47-,48-,49-;/m0./s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51858
PNG
(MLS000562887 | SMR000391146 | YW-IW | cid_16196440)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-27-81-29-31-83-32-30-82-28-18-62-57-65-58(67-59(66-57)75-25-21-73(22-26-75)56(80)53(37-45-35-43-11-7-9-13-49(43)64-45)77-39-51(69-71-77)54(61)40(3)5-2)74-23-19-72(20-24-74)55(79)52(36-44-34-42-10-6-8-12-48(42)63-44)76-38-50(68-70-76)47(60)33-41-14-16-46(78)17-15-41;/h1,6-17,34-35,38-40,47,52-54,63-64,78H,5,18-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t40?,47-,52-,53-,54-;/m0./s1
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n/an/an/an/a 1.01E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair