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6 similar compounds to monomer 50353128

Compile data set for download or QSAR
Wt: 466.6
BDBM50244167
Wt: 523.7
BDBM50353129
Wt: 513.7
BDBM50353130
Wt: 511.6
BDBM50442104
Wt: 561.7
BDBM50442108
Wt: 559.7
BDBM50442109

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50244167,50353129,50353130,50442104,50442108,50442109   
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
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353129
PNG
(CHEMBL1829302)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)32-31-26-21-28(37-3)29(38-20-10-17-35-15-8-5-9-16-35)22-27(26)33-30(34-31)24-11-6-4-7-12-24/h21-25H,4-20H2,1-3H3,(H,32,33,34)
PDB

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PC sid
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353130
PNG
(CHEMBL1829303)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCOCCN(C)C)C1CCCCC1
Show InChI InChI=1S/C29H47N5O3/c1-21(2)34-13-11-23(12-14-34)30-29-24-19-26(35-5)27(37-18-17-36-16-15-33(3)4)20-25(24)31-28(32-29)22-9-7-6-8-10-22/h19-23H,6-18H2,1-5H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244167
PNG
(CHEMBL515355 | N-cycloheptyl-2-(1-cyclohexylpiperi...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c1-33-25-18-23-24(19-26(25)34-2)30-27(31-28(23)29-21-10-6-3-4-7-11-21)20-14-16-32(17-15-20)22-12-8-5-9-13-22/h18-22H,3-17H2,1-2H3,(H,29,30,31)
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353129
PNG
(CHEMBL1829302)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)32-31-26-21-28(37-3)29(38-20-10-17-35-15-8-5-9-16-35)22-27(26)33-30(34-31)24-11-6-4-7-12-24/h21-25H,4-20H2,1-3H3,(H,32,33,34)
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442104
PNG
(CHEMBL2441076)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCOCC1
Show InChI InChI=1S/C29H45N5O3/c1-21(2)34-14-7-23(8-15-34)30-29-24-19-26(35-3)27(37-16-6-13-33-11-4-5-12-33)20-25(24)31-28(32-29)22-9-17-36-18-10-22/h19-23H,4-18H2,1-3H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay


J Med Chem 56: 8931-42 (2013)


Article DOI: 10.1021/jm401480r
BindingDB Entry DOI: 10.7270/Q2NZ892T
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442104
PNG
(CHEMBL2441076)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCOCC1
Show InChI InChI=1S/C29H45N5O3/c1-21(2)34-14-7-23(8-15-34)30-29-24-19-26(35-3)27(37-16-6-13-33-11-4-5-12-33)20-25(24)31-28(32-29)22-9-17-36-18-10-22/h19-23H,4-18H2,1-3H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell We...


J Med Chem 56: 8931-42 (2013)


Article DOI: 10.1021/jm401480r
BindingDB Entry DOI: 10.7270/Q2NZ892T
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442108
PNG
(CHEMBL2441074)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCC(F)(F)CC1)C1CCOCC1
Show InChI InChI=1S/C30H45F2N5O3/c1-21(2)37-12-5-23(6-13-37)33-29-24-19-26(38-3)27(40-16-4-11-36-14-9-30(31,32)10-15-36)20-25(24)34-28(35-29)22-7-17-39-18-8-22/h19-23H,4-18H2,1-3H3,(H,33,34,35)
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay


J Med Chem 56: 8931-42 (2013)


Article DOI: 10.1021/jm401480r
BindingDB Entry DOI: 10.7270/Q2NZ892T
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442109
PNG
(CHEMBL2441075)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCC(F)(F)CC1)C1CCCCC1
Show InChI InChI=1S/C31H47F2N5O2/c1-22(2)38-15-10-24(11-16-38)34-30-25-20-27(39-3)28(40-19-7-14-37-17-12-31(32,33)13-18-37)21-26(25)35-29(36-30)23-8-5-4-6-9-23/h20-24H,4-19H2,1-3H3,(H,34,35,36)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a>2.60E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay


J Med Chem 56: 8931-42 (2013)


Article DOI: 10.1021/jm401480r
BindingDB Entry DOI: 10.7270/Q2NZ892T
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353130
PNG
(CHEMBL1829303)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCOCCN(C)C)C1CCCCC1
Show InChI InChI=1S/C29H47N5O3/c1-21(2)34-13-11-23(12-14-34)30-29-24-19-26(35-5)27(37-18-17-36-16-15-33(3)4)20-25(24)31-28(32-29)22-9-7-6-8-10-22/h19-23H,6-18H2,1-5H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair