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8 similar compounds to monomer 50100980

Compile data set for download or QSAR
Wt: 345.3
BDBM50216262		Wt: 362.5
BDBM50100982		Wt: 288.3
BDBM50095432		Wt: 407.5
BDBM50095436		Wt: 407.5
BDBM50095438
Wt: 432.5
BDBM50095439		Wt: 288.3
BDBM50095445		Wt: 376.4
BDBM50168021

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50216262,50100982,50095432,50095436,50095438,50095439,50095445,50168021   
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
Nociceptin receptor


(Homo sapiens (Human))		BDBM50100982
PNG
(CHEMBL3326225)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)OCCc1c[nH]c2ccccc12)c1ccccc1
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 2n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells at 1 uM after 90 mins

ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50100982
PNG
(CHEMBL3326225)
Show SMILES CN(C)[C@]1(CC[C@@H](CC1)OCCc1c[nH]c2ccccc12)c1ccccc1
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 20n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins

ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))		BDBM50095438
PNG
(CHEMBL3589042)
Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-19-15-25-26-22(19)17-8-10-20(11-9-17)30-21-7-5-6-18(14-21)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 179n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))		BDBM50095439
PNG
(CHEMBL3589041)
Show SMILES CN(CCN)Cc1c[nH]nc1-c1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C25H32N6O/c1-29(12-11-26)19-22-18-27-28-25(22)21-7-9-23(10-8-21)30-13-15-31(16-14-30)24(32)17-20-5-3-2-4-6-20/h2-10,18H,11-17,19,26H2,1H3,(H,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))		BDBM50095432
PNG
(CHEMBL3589026)
Show SMILES CC(C)Oc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))		BDBM50095436
PNG
(CHEMBL3589043)
Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))		BDBM50095438
PNG
(CHEMBL3589042)
Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-19-15-25-26-22(19)17-8-10-20(11-9-17)30-21-7-5-6-18(14-21)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))		BDBM50095439
PNG
(CHEMBL3589041)
Show SMILES CN(CCN)Cc1c[nH]nc1-c1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C25H32N6O/c1-29(12-11-26)19-22-18-27-28-25(22)21-7-9-23(10-8-21)30-13-15-31(16-14-30)24(32)17-20-5-3-2-4-6-20/h2-10,18H,11-17,19,26H2,1H3,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))		BDBM50095432
PNG
(CHEMBL3589026)
Show SMILES CC(C)Oc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)
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n/an/a 7n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))		BDBM50095439
PNG
(CHEMBL3589041)
Show SMILES CN(CCN)Cc1c[nH]nc1-c1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C25H32N6O/c1-29(12-11-26)19-22-18-27-28-25(22)21-7-9-23(10-8-21)30-13-15-31(16-14-30)24(32)17-20-5-3-2-4-6-20/h2-10,18H,11-17,19,26H2,1H3,(H,27,28)
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n/an/a 387n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))		BDBM50095438
PNG
(CHEMBL3589042)
Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-19-15-25-26-22(19)17-8-10-20(11-9-17)30-21-7-5-6-18(14-21)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))		BDBM50095436
PNG
(CHEMBL3589043)
Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 60n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))		BDBM50095445
PNG
(CHEMBL3590421)
Show SMILES CCCCN(C)CCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-3-4-10-15(2)11-7-5-6-8-13(17)16(20)12-9-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JHDM1F (unknown origin) using H3K9mel peptide

ACS Med Chem Lett 6: 665-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00083
BindingDB Entry DOI: 10.7270/Q2V69MC7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50095445
PNG
(CHEMBL3590421)
Show SMILES CCCCN(C)CCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-3-4-10-15(2)11-7-5-6-8-13(17)16(20)12-9-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using biotinylated H3K9mel peptide after 60 mins by Alpha screen assay

ACS Med Chem Lett 6: 665-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00083
BindingDB Entry DOI: 10.7270/Q2V69MC7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))		BDBM50095445
PNG
(CHEMBL3590421)
Show SMILES CCCCN(C)CCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-3-4-10-15(2)11-7-5-6-8-13(17)16(20)12-9-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JMJD2C (unknown origin) using H3K9mel peptide

ACS Med Chem Lett 6: 665-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00083
BindingDB Entry DOI: 10.7270/Q2V69MC7
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))		BDBM50168021
PNG
(CHEMBL3800241)
Show SMILES CC(C)=CCCC1(C)Oc2cc(cc(O)c2C=C1)-c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C24H24O4/c1-15(2)5-4-9-24(3)10-8-19-20(26)11-17(13-23(19)28-24)21-12-16-6-7-18(25)14-22(16)27-21/h5-8,10-14,25-26H,4,9H2,1-3H3
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n/an/a 760n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...

Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))		BDBM50216262
PNG
(CHEMBL90278)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO5S/c1-22-15-8-7-13(11-16(15)23-2)24(20,21)18-10-9-12-5-3-4-6-14(12)17(18)19/h3-11H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4

Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))		BDBM50216262
PNG
(CHEMBL90278)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO5S/c1-22-15-8-7-13(11-16(15)23-2)24(20,21)18-10-9-12-5-3-4-6-14(12)17(18)19/h3-11H,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to phosphodiesterase 4 at 20 uM

Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))		BDBM50095432
PNG
(CHEMBL3589026)
Show SMILES CC(C)Oc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)
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n/an/a 4n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))		BDBM50095436
PNG
(CHEMBL3589043)
Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 347n/an/an/an/an/an/a



Epizyme Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...

ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair