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Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'swinger' and Initial = 'kk'   
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
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50365695
PNG
(CHEMBL1958408)
Show SMILES O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4O/c23-17-10-12(15-11-20-18-14(15)7-4-8-19-18)9-16(22-17)21-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,19,20)(H2,21,22,23)
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0.280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426461
PNG
(CHEMBL2322677)
Show SMILES Clc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426464
PNG
(CHEMBL2322674)
Show SMILES N#Cc1cc(cc(NCc2ccccc2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C20H15N5/c21-11-16-9-15(18-13-24-20-17(18)7-4-8-22-20)10-19(25-16)23-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,22,24)(H,23,25)
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426467
PNG
(CHEMBL2322683)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(71.14,-14.48,;69.8,-15.24,;68.47,-14.47,;67.13,-15.24,;67.14,-16.78,;68.47,-17.55,;69.8,-16.78,;65.81,-17.55,;64.48,-16.78,;63.14,-17.55,;61.8,-16.78,;61.81,-15.24,;63.14,-14.47,;63.13,-12.93,;64.47,-15.23,;60.47,-17.55,;60.31,-19.08,;58.8,-19.4,;58.03,-18.07,;56.53,-17.75,;56.05,-16.3,;57.08,-15.14,;58.59,-15.47,;59.06,-16.93,)|
Show InChI InChI=1S/C18H19FN4O/c19-16-8-11(15-10-21-18-14(15)2-1-7-20-18)9-17(23-16)22-12-3-5-13(24)6-4-12/h1-2,7-10,12-13,24H,3-6H2,(H,20,21)(H,22,23)/t12-,13-
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426468
PNG
(CHEMBL2322682)
Show SMILES Fc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H19FN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)
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3.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426466
PNG
(CHEMBL2322684)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(17.72,-27.15,;16.38,-27.92,;15.05,-27.15,;13.71,-27.92,;13.73,-29.45,;15.05,-30.23,;16.38,-29.46,;12.39,-30.23,;11.06,-29.46,;9.72,-30.23,;8.39,-29.46,;8.39,-27.91,;9.72,-27.14,;9.71,-25.6,;11.05,-27.91,;7.05,-30.23,;6.89,-31.76,;5.38,-32.08,;4.61,-30.75,;3.11,-30.43,;2.63,-28.97,;3.67,-27.82,;5.17,-28.14,;5.64,-29.6,)|
Show InChI InChI=1S/C18H20FN5/c19-16-8-11(15-10-22-18-14(15)2-1-7-21-18)9-17(24-16)23-13-5-3-12(20)4-6-13/h1-2,7-10,12-13H,3-6,20H2,(H,21,22)(H,23,24)/t12-,13-
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3.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426463
PNG
(CHEMBL2322675)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(n1)C#N)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(19.06,-40.41,;17.72,-41.18,;16.38,-40.41,;15.04,-41.18,;15.06,-42.71,;16.39,-43.49,;17.71,-42.72,;13.73,-43.48,;12.39,-42.72,;11.05,-43.49,;9.72,-42.72,;9.72,-41.17,;11.05,-40.4,;12.39,-41.17,;11.04,-38.87,;11.03,-37.33,;8.39,-43.49,;8.22,-45.02,;6.72,-45.34,;5.94,-44,;4.44,-43.69,;3.97,-42.23,;5,-41.08,;6.5,-41.4,;6.98,-42.86,)|
Show InChI InChI=1S/C19H19N5O/c20-10-14-8-12(17-11-22-19-16(17)2-1-7-21-19)9-18(24-14)23-13-3-5-15(25)6-4-13/h1-2,7-9,11,13,15,25H,3-6H2,(H,21,22)(H,23,24)/t13-,15-
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5.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426465
PNG
(CHEMBL2322673)
Show SMILES N#Cc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H19N5/c20-11-15-9-13(17-12-22-19-16(17)7-4-8-21-19)10-18(24-15)23-14-5-2-1-3-6-14/h4,7-10,12,14H,1-3,5-6H2,(H,21,22)(H,23,24)
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7.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426472
PNG
(CHEMBL2322678)
Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4/c1-2-5-14(6-3-1)22-17-11-13(8-10-19-17)16-12-21-18-15(16)7-4-9-20-18/h4,7-12,14H,1-3,5-6H2,(H,19,22)(H,20,21)
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8.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426471
PNG
(CHEMBL2322679)
Show SMILES Cc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H22N4/c1-13-10-14(17-12-21-19-16(17)8-5-9-20-19)11-18(22-13)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7H2,1H3,(H,20,21)(H,22,23)
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426470
PNG
(CHEMBL2322680)
Show SMILES Cc1cc(cc(NCc2ccccc2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C20H18N4/c1-14-10-16(18-13-23-20-17(18)8-5-9-21-20)11-19(24-14)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426469
PNG
(CHEMBL2322681)
Show SMILES Cc1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:7.6,wD:10.10,(29,-13.79,;29.01,-15.33,;27.68,-16.1,;27.68,-17.64,;29.01,-18.42,;30.35,-17.64,;31.68,-18.41,;33.02,-17.64,;33,-16.1,;34.34,-15.34,;35.67,-16.11,;37.01,-15.34,;35.67,-17.65,;34.34,-18.41,;30.34,-16.09,;26.34,-18.41,;26.18,-19.94,;24.67,-20.27,;23.9,-18.93,;22.4,-18.62,;21.92,-17.16,;22.95,-16.01,;24.46,-16.33,;24.93,-17.79,)|
Show InChI InChI=1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23)/t14-,15-
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27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50426461
PNG
(CHEMBL2322677)
Show SMILES Clc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426462
PNG
(CHEMBL2322676)
Show SMILES NC(=O)c1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:9.8,wD:12.12,(34.56,-37.23,;33.23,-38,;31.9,-37.24,;33.24,-39.54,;31.91,-40.31,;31.91,-41.86,;33.24,-42.63,;34.58,-41.86,;35.91,-42.62,;37.25,-41.85,;37.23,-40.32,;38.57,-39.55,;39.9,-40.32,;41.24,-39.55,;39.9,-41.86,;38.57,-42.63,;34.57,-40.3,;30.57,-42.62,;30.41,-44.15,;28.9,-44.48,;28.13,-43.14,;26.63,-42.83,;26.15,-41.37,;27.19,-40.22,;28.69,-40.54,;29.16,-42,)|
Show InChI InChI=1S/C19H21N5O2/c20-18(26)16-8-11(15-10-22-19-14(15)2-1-7-21-19)9-17(24-16)23-12-3-5-13(25)6-4-12/h1-2,7-10,12-13,25H,3-6H2,(H2,20,26)(H,21,22)(H,23,24)/t12-,13-
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67n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344200
PNG
((2R)-1-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@@H](C)OC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 1.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344204
PNG
((2R)-2-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN([C@H](C)COC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 1.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344248
PNG
(N-{6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-y...)
Show SMILES COC[C@@H]1CN(CCN1C(C)=O)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OCC(C)(C)O)n1
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n/an/a 1.80n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))
BDBM50095355
PNG
(CHEMBL3589029)
Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)
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n/an/a 2n/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))
BDBM50095355
PNG
(CHEMBL3589029)
Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)
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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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344282
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCOCCO)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 2.10n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344241
PNG
(N-{6-[(2S)-2-(hydroxymethyl)-4-(morpholin-4-ylcarb...)
Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@H]1CO)C(=O)N1CCOCC1
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n/an/a 2.30n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344245
PNG
(N-{6-[(2R)-4-acetyl-2-(hydroxymethyl)piperazin-1-y...)
Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@@H]1CO)C(C)=O
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n/an/a 2.40n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344277
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-methoxypyridin-3-y...)
Show SMILES COc1nc(ccc1NC(=O)c1coc2COC(C)(C)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 2.90n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344224
PNG
(N-{6-[4-(N′-cyano-N-methylcarbamimidoyl)pipe...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)NC(=O)c12)N1CCN(CC1)C(NC)=NC#N |w:34.39|
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n/an/a 3n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
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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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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344222
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)N(CCO)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 3.10n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344205
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN([C@H](C)CO)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 3.30n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344239
PNG
(N-{6-[(3S)-4-acetyl-3-(hydroxymethyl)piperazin-1-y...)
Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN([C@H](CO)C1)C(C)=O
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n/an/a 3.30n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344290
PNG
(N-[6-(1-acetylpiperidin-4-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)C1CCN(CC1)C(C)=O
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n/an/a 3.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344279
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(C)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 3.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344240
PNG
(N-{6-[(2S)-4-acetyl-2-(hydroxymethyl)piperazin-1-y...)
Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@H]1CO)C(C)=O
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n/an/a 3.90n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344217
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)NC(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 3.90n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50095354
PNG
(CHEMBL3589030)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C16H23ClN4O/c1-11(2)22-15-5-4-12(8-14(15)17)16-13(9-19-20-16)10-21(3)7-6-18/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20)
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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 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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344264
PNG
(N-[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]-6,6...)
Show SMILES COc1cc(ccc1NC(=O)c1coc2CC(C)(C)CC(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 4.20n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315895
PNG
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344201
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@@H](C)O)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 4.30n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344196
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCCCO)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 4.70n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344281
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCOC)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 4.70n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344195
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCCO)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 4.70n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344289
PNG
(N-{6-(4-acetylpiperazin-1-yl)-2-[(1-oxidothietan-3...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OC2CS(=O)C2)n1
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n/an/a 4.80n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344203
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@H](C)O)C(=O)c12)N1CCN(CC1)C(C)=O
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n/an/a 4.80n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315905
PNG
(CHEMBL1090350 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccccc1
Show InChI InChI=1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)34-25-8-4-7-23(21-25)28-29(39-17-20-42-32(39)37-28)27-13-14-33-31(36-27)35-24-9-11-26(12-10-24)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,34,40)(H,33,35,36)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344285
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-(oxetan-3-yloxy)py...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OC2COC2)n1
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n/an/a 4.90n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50095353
PNG
(CHEMBL3589031)
Show SMILES CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C17H25ClN4O/c1-12(2)23-16-6-5-13(9-15(16)18)17-14(10-20-21-17)11-22(4)8-7-19-3/h5-6,9-10,12,19H,7-8,11H2,1-4H3,(H,20,21)
PDB

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UniChem
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n/an/a 5n/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))
BDBM50095356
PNG
(CHEMBL3589028)
Show SMILES CC(C)Cc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C17H26N4/c1-13(2)10-14-4-6-15(7-5-14)17-16(11-19-20-17)12-21(3)9-8-18/h4-7,11,13H,8-10,12,18H2,1-3H3,(H,19,20)
PDB

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n/an/a 5n/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 6


(Homo sapiens (Human))
BDBM50095435
PNG
(CHEMBL3590417)
Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1
Show InChI InChI=1S/C22H27N5O2/c1-23-12-13-27(3)15-20-19(14-25-26-20)16-8-10-17(11-9-16)29-21-7-5-4-6-18(21)22(28)24-2/h4-11,14,23H,12-13,15H2,1-3H3,(H,24,28)(H,25,26)
PDB

UniProtKB/SwissProt

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antibodypedia
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n/an/a 5n/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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344115
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCO)C(=O)c12)N1CCN(CC1)C(C)=O
PDB
MMDB

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UniChem
US Patent
n/an/a 5.10n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344280
PNG
(N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...)
Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCO)C(=O)c12)N1CCN(CC1)C(C)=O
PDB
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UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US9777020 (2017)


BindingDB Entry DOI: 10.7270/Q2T155R7
More data for this
Ligand-Target Pair
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