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9 similar compounds to monomer 50185439

Compile data set for download or QSAR
Wt: 337.3
BDBM50185441
Wt: 437.5
BDBM50185443
Wt: 402.3
BDBM50185422
Wt: 402.3
BDBM50185424
Wt: 404.4
BDBM50185425
Wt: 393.3
BDBM50185429
Wt: 403.3
BDBM50185432
Wt: 417.5
BDBM50185436
Wt: 426.5
BDBM50185438

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50185441,50185443,50185422,50185424,50185425,50185429,50185432,50185436,50185438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185422
PNG
(CHEMBL3822763)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-11-17-15(6-4-8-22(17)27-28)14-9-19(24)18(20(25)10-14)12-29-13-26-21-7-3-2-5-16(21)23(29)30/h2-11,13H,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185436
PNG
(CHEMBL3823874)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC1CCCCC1
Show InChI InChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185422
PNG
(CHEMBL3822763)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-11-17-15(6-4-8-22(17)27-28)14-9-19(24)18(20(25)10-14)12-29-13-26-21-7-3-2-5-16(21)23(29)30/h2-11,13H,12H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185424
PNG
(CHEMBL3823059)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185429
PNG
(CHEMBL3823424)
Show SMILES Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-8-13(2-3-19(15)25-26)14-9-17(22)16(18(23)10-14)12-27-6-7-28-20(21(27)29)4-5-24-28/h2-5,8-11H,6-7,12H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185432
PNG
(CHEMBL3824092)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-26-19-3-2-13(8-21(19)28)14-6-17(23)16(18(24)7-14)10-29-12-27-20-9-25-5-4-15(20)22(29)30/h2-9,11-12H,10H2,1H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185422
PNG
(CHEMBL3822763)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-11-17-15(6-4-8-22(17)27-28)14-9-19(24)18(20(25)10-14)12-29-13-26-21-7-3-2-5-16(21)23(29)30/h2-11,13H,12H2,1H3
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n/an/an/an/a 4.79E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185424
PNG
(CHEMBL3823059)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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n/an/an/an/a 4.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185438
PNG
(CHEMBL3824157)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCc1ccncc1
Show InChI InChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185441
PNG
(CHEMBL3824174)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1F
Show InChI InChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185432
PNG
(CHEMBL3824092)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-26-19-3-2-13(8-21(19)28)14-6-17(23)16(18(24)7-14)10-29-12-27-20-9-25-5-4-15(20)22(29)30/h2-9,11-12H,10H2,1H3
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n/an/an/an/a 5.25E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185436
PNG
(CHEMBL3823874)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC1CCCCC1
Show InChI InChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185438
PNG
(CHEMBL3824157)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCc1ccncc1
Show InChI InChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185441
PNG
(CHEMBL3824174)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1F
Show InChI InChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185443
PNG
(CHEMBL3824328)
Show SMILES Fc1cc(ccc1-n1cc(cn1)-c1ccncc1OCC1CCNCC1)N1CCOCC1
Show InChI InChI=1S/C24H28FN5O2/c25-22-13-20(29-9-11-31-12-10-29)1-2-23(22)30-16-19(14-28-30)21-5-8-27-15-24(21)32-17-18-3-6-26-7-4-18/h1-2,5,8,13-16,18,26H,3-4,6-7,9-12,17H2
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185424
PNG
(CHEMBL3823059)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair