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Compile Data Set for Download or QSAR

Found 186 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4138   
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
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51851
PNG
((5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(1R)-5-[me...)
Show SMILES COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H48Cl2N4O4/c1-45(28-32-14-19-36(51-3)20-15-32)23-8-7-11-34(27-44-26-31-12-17-35(50-2)18-13-31)47-29-39(33-9-5-4-6-10-33)46(40(48)41(47)49)24-22-30-16-21-37(42)38(43)25-30/h4-6,9-10,12-21,25,34,39,44H,7-8,11,22-24,26-29H2,1-3H3/t34-,39-/m1/s1
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n/an/an/an/a 1.48E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51852
PNG
(MLS000697856 | N-[3-[(3S,6S)-3-cyclohexyl-7-[2-(3,...)
Show SMILES CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1 |c:14|
Show InChI InChI=1S/C32H42Cl2N4O/c1-2-27(24-10-5-3-6-11-24)31(39)35-18-9-14-26-22-38-30(25-12-7-4-8-13-25)21-36-32(38)37(26)19-17-23-15-16-28(33)29(34)20-23/h3,5-6,10-11,15-16,20,25-27,30H,2,4,7-9,12-14,17-19,21-22H2,1H3,(H,35,39)/t26-,27?,30+/m0/s1
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n/an/an/an/a 1.67E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51853
PNG
(1-[3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoqu...)
Show SMILES COc1ccc(cc1CN1CCc2cc(OC)c(OC)cc2C1C)C1NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C31H35N3O3/c1-19-25-17-29(37-4)28(36-3)16-20(25)12-14-34(19)18-22-15-21(9-10-27(22)35-2)30-31-24(11-13-32-30)23-7-5-6-8-26(23)33-31/h5-10,15-17,19,30,32-33H,11-14,18H2,1-4H3
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n/an/an/an/a 1.05E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 530n/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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51854
PNG
(MLS001004803 | SMR000348323 | [amino-[[3-(4-bromop...)
Show SMILES NC(=[NH2+])SCc1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C17H15BrN4S/c18-14-8-6-12(7-9-14)16-13(11-23-17(19)20)10-22(21-16)15-4-2-1-3-5-15/h1-10H,11H2,(H3,19,20)/p+1
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n/an/an/an/a 3.13E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/an/an/a 5.94E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51856
PNG
(2-(diethylamino)ethyl 4-[(1-phenyl-3-thiophen-2-yl...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O3S/c1-3-30(4-2)16-17-34-27(33)20-12-14-21(15-13-20)28-26(32)23-19-31(22-9-6-5-7-10-22)29-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,32)
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51857
PNG
(MLS001010894 | N-[4-(3-bromophenyl)-1,3-thiazol-2-...)
Show SMILES CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H24BrN5O2S2/c1-29(2)11-6-12-30-22(32)18-9-3-4-10-19(18)27-24(30)34-15-21(31)28-23-26-20(14-33-23)16-7-5-8-17(25)13-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,26,28,31)
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51859
PNG
(IW-LW | MLS000562576 | SMR000391064 | cid_16196504)
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)CC(C)C
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-25-77-27-29-79-30-28-78-26-16-59-54-62-55(71-21-17-69(18-22-71)52(75)49(34-42-32-40-12-8-10-14-45(40)60-42)73-36-47(65-67-73)44(57)31-38(3)4)64-56(63-54)72-23-19-70(20-24-72)53(76)50(35-43-33-41-13-9-11-15-46(41)61-43)74-37-48(66-68-74)51(58)39(5)7-2;/h1,8-15,32-33,36-39,44,49-51,60-61H,7,16-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t39?,44-,49-,50-,51-;/m0./s1
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n/an/an/an/a 2.69E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51860
PNG
(MLS000562855 | SMR000391143 | YW-LK | cid_16196513)
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)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);1H/t43-,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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51865
PNG
(3-(2-furanyl)-5-[(E)-2-(5-nitro-2-furanyl)ethenyl]...)
Show SMILES [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1 |w:8.8,c:18|
Show InChI InChI=1S/C19H15N3O4/c23-22(24)19-11-10-16(26-19)9-8-14-13-17(18-7-4-12-25-18)21(20-14)15-5-2-1-3-6-15/h1-12,17H,13H2
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51866
PNG
(LW-LW | MLS000562577 | SMR000391050 | cid_16196578)
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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51871
PNG
(MLS000562897 | SMR000391157 | YI-LK | cid_16196598)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C49H77N17O6.ClH/c1-6-25-70-27-29-72-30-28-71-26-16-53-47-54-48(63-21-17-61(18-22-63)45(68)43(10-8-9-15-50)65-33-41(57-59-65)39(51)31-35(3)4)56-49(55-47)64-23-19-62(20-24-64)46(69)44(36(5)7-2)66-34-42(58-60-66)40(52)32-37-11-13-38(67)14-12-37;/h1,11-14,33-36,39-40,43-44,67H,7-10,15-32,50-52H2,2-5H3,(H,53,54,55,56);1H/t36-,39-,40-,43-,44-;/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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51872
PNG
(LY-LY | MLS000562569 | SMR000391062 | cid_16196600)
Show SMILES Cl.CC(C)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](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C52H74N16O7.ClH/c1-6-24-73-26-28-75-29-27-74-25-15-55-50-56-51(65-20-16-63(17-21-65)48(71)46(32-38-7-11-40(69)12-8-38)67-34-44(59-61-67)42(53)30-36(2)3)58-52(57-50)66-22-18-64(19-23-66)49(72)47(33-39-9-13-41(70)14-10-39)68-35-45(60-62-68)43(54)31-37(4)5;/h1,7-14,34-37,42-43,46-47,69-70H,15-33,53-54H2,2-5H3,(H,55,56,57,58);1H/t42-,43-,46-,47-;/m0./s1
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n/an/an/an/a 8.71E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM38802
PNG
(MLS000038842 | SMR000040243 | cid_659226)
Show SMILES CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C21H16BrNO6/c1-3-27-20(25)15(21(26)28-4-2)12-9-13(22)17-16-14(12)18(24)10-7-5-6-8-11(10)19(16)29-23-17/h5-9,15H,3-4H2,1-2H3
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n/an/an/an/a 2.82E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51876
PNG
(2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)n1
Show InChI InChI=1S/C25H24N4OS/c1-17-5-9-19(10-6-17)21-16-31-25(26-21)27-23(30)15-28-14-22(29-13-3-4-24(28)29)20-11-7-18(2)8-12-20/h5-12,14,16H,3-4,13,15H2,1-2H3/p+1
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM45687
PNG
(MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...)
Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)
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n/an/an/an/a 3.37E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51877
PNG
(3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]...)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3
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n/an/an/an/a 4.35E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM46584
PNG
(2-N,4-N-dibenzylquinazoline-2,4-diamine;hydrochlor...)
Show SMILES C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51878
PNG
(2,6-bis(iodanyl)-4-[2-(1,3,3-trimethylindol-2-ylid...)
Show SMILES CN1C(=C=Cc2cc(I)c(O)c(I)c2)C(C)(C)c2ccccc12 |(7.68,-1.39,;7.2,.08,;8.1,1.32,;9.64,1.32,;11.18,1.32,;11.95,-.02,;11.18,-1.35,;11.95,-2.69,;11.18,-4.02,;13.49,-2.69,;14.26,-4.02,;14.26,-1.35,;15.8,-1.35,;13.49,-.02,;7.2,2.55,;8.45,3.46,;6.73,4.02,;5.75,2.09,;4.41,2.86,;3.08,2.09,;3.08,.55,;4.41,-.22,;5.75,.55,)|
Show InChI InChI=1S/C19H17I2NO/c1-19(2)13-6-4-5-7-16(13)22(3)17(19)9-8-12-10-14(20)18(23)15(21)11-12/h4-8,10-11,23H,1-3H3
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n/an/an/an/a 9.16E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51879
PNG
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-5-me...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
Show InChI InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)
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n/an/an/an/a 1.94E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51880
PNG
(4-[3-(2,4-diamino-5-methylphenyl)azo-4-methylpheny...)
Show SMILES Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
Show InChI InChI=1S/C21H24N8/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25/h4-10H,22-25H2,1-3H3/b28-26+,29-27+
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51881
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(4-meth...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|
Show InChI InChI=1S/C26H28N4O3S/c1-4-30(5-2)14-15-33-26(31)20-6-10-22(11-7-20)28-17-21(16-27)25-29-24(18-34-25)19-8-12-23(32-3)13-9-19/h6-13,17-18,21H,4-5,14-15H2,1-3H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51882
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51883
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-[4-(1,3-benzodioxo...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
Show InChI InChI=1S/C26H26N4O4S/c1-3-30(4-2)11-12-32-26(31)18-5-8-21(9-6-18)28-15-20(14-27)25-29-22(16-35-25)19-7-10-23-24(13-19)34-17-33-23/h5-10,13,15-16,20H,3-4,11-12,17H2,1-2H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51884
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3-meth...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cccc(OC)c1 |w:16.16|
Show InChI InChI=1S/C26H28N4O3S/c1-4-30(5-2)13-14-33-26(31)19-9-11-22(12-10-19)28-17-21(16-27)25-29-24(18-34-25)20-7-6-8-23(15-20)32-3/h6-12,15,17-18,21H,4-5,13-14H2,1-3H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51886
PNG
(2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|
Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)
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n/an/an/an/a 580n/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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51890
PNG
(MLS000911514 | N-[4-[(4-ethyl-1-piperazinyl)methyl...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O4/c1-3-39-10-12-40(13-11-39)19-20-8-9-22(17-27(20)32(33,34)35)37-30(42)21-14-23(16-24(15-21)44-2)38-31(43)29(41)26-18-36-28-7-5-4-6-25(26)28/h4-9,14-18,36H,3,10-13,19H2,1-2H3,(H,37,42)(H,38,43)
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n/an/an/an/a 340n/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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51891
PNG
(2,5-dimethyl-4-[(phenylmethyl)-propan-2-ylsulfamoy...)
Show SMILES COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C18H23NO5S/c1-12(2)19(11-15-9-7-6-8-10-15)25(21,22)17-14(4)24-13(3)16(17)18(20)23-5/h6-10,12H,11H2,1-5H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51892
PNG
(5-amino-N-[3-[[4-[(4-ethyl-1-piperazinyl)methyl]-3...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(c4N)-c4ccccc4)cc(OC)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H34F3N7O3/c1-3-40-11-13-41(14-12-40)20-21-9-10-23(18-28(21)32(33,34)35)38-30(43)22-15-24(17-26(16-22)45-2)39-31(44)27-19-37-42(29(27)36)25-7-5-4-6-8-25/h4-10,15-19H,3,11-14,20,36H2,1-2H3,(H,38,43)(H,39,44)
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51893
PNG
(4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpipe...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
Show InChI InChI=1S/C32H41NO6/c1-5-6-7-10-23-17-29(34)39-32-30(23)27(35-3)18-28(36-4)31(32)24(13-15-33-14-8-9-21(2)19-33)22-11-12-25-26(16-22)38-20-37-25/h11-12,16-18,21,24H,5-10,13-15,19-20H2,1-4H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51894
PNG
(4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-piperidino-pr...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
Show InChI InChI=1S/C31H39NO6/c1-4-5-7-10-22-18-28(33)38-31-29(22)26(34-2)19-27(35-3)30(31)23(13-16-32-14-8-6-9-15-32)21-11-12-24-25(17-21)37-20-36-24/h11-12,17-19,23H,4-10,13-16,20H2,1-3H3
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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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51895
PNG
(4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-m...)
Show SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12
Show InChI InChI=1S/C32H43NO5/c1-6-7-8-11-24-19-29(34)38-32-30(24)27(36-4)20-28(37-5)31(32)26(23-12-14-25(35-3)15-13-23)16-18-33-17-9-10-22(2)21-33/h12-15,19-20,22,26H,6-11,16-18,21H2,1-5H3
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n/an/an/an/a 9.57E+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...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
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