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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'thieffine' and Initial = 's'   
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
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279340
PNG
((Z)-2-[(Furan-2-ylmethyl)-amino]-5-[1-(1H-pyrrolo[...)
Show SMILES O=C1N=C(NCc2ccco2)SC1=Cc1c[nH]c2ncccc12 |w:13.15,t:2|
Show InChI InChI=1S/C16H12N4O2S/c21-15-13(7-10-8-18-14-12(10)4-1-5-17-14)23-16(20-15)19-9-11-3-2-6-22-11/h1-8H,9H2,(H,17,18)(H,19,20,21)
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n/an/a 4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279338
PNG
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2|
Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23)
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279339
PNG
((Z)-2-Isopropylamino-5-[1-(1H-pyrrolo[2,3-b]pyridi...)
Show SMILES CC(C)NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12 |w:10.11,t:4|
Show InChI InChI=1S/C14H14N4OS/c1-8(2)17-14-18-13(19)11(20-14)6-9-7-16-12-10(9)4-3-5-15-12/h3-8H,1-2H3,(H,15,16)(H,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279251
PNG
((Z)-2-[(4-Methylcyclohexyl)amino]-5-(1H-pyrrolo[2,...)
Show SMILES CC1CCC(CC1)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:11.12,t:9,(.42,-45.49,;.45,-43.95,;-.87,-43.15,;-.85,-41.62,;.49,-40.87,;1.82,-41.65,;1.79,-43.19,;.51,-39.33,;-.9,-38.71,;-2.23,-39.48,;-3.38,-38.44,;-4.88,-38.76,;-5.36,-40.22,;-4.44,-41.48,;-5.36,-42.74,;-6.83,-42.26,;-8.17,-43.03,;-9.5,-42.26,;-9.5,-40.71,;-8.17,-39.94,;-6.83,-40.71,;-2.75,-37.04,;-3.52,-35.71,;-1.22,-37.2,)|
Show InChI InChI=1S/C18H21N5O/c1-11-4-6-13(7-5-11)21-18-22-15(17(24)23-18)9-12-10-20-16-14(12)3-2-8-19-16/h2-3,8-11,13H,4-7H2,1H3,(H,19,20)(H2,21,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279285
PNG
((Z)-2-(Isopropylamino)-5-(1H-pyrrolo[2,3-b]pyridin...)
Show SMILES CC(C)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4|
Show InChI InChI=1S/C14H15N5O/c1-8(2)17-14-18-11(13(20)19-14)6-9-7-16-12-10(9)4-3-5-15-12/h3-8H,1-2H3,(H,15,16)(H2,17,18,19,20)
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n/an/a 13n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50279338
PNG
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2|
Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23)
PDB
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n/an/a 15n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdk9/cyclinT (unknown origin)


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279215
PNG
((Z)-2-[(2-Furylmethyl)amino]-5-(1H-pyrrolo[2,3-b]p...)
Show SMILES O=C1NC(NCc2ccco2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N5O2/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8H,9H2,(H,17,18)(H2,19,20,21,22)
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n/an/a 15n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279248
PNG
((Z)-2-[(2-Phenylethyl)amino]-5-(1H-pyrrolo[2,3-b]p...)
Show SMILES O=C1NC(NCCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:15.17,c:13|
Show InChI InChI=1S/C19H17N5O/c25-18-16(11-14-12-22-17-15(14)7-4-9-20-17)23-19(24-18)21-10-8-13-5-2-1-3-6-13/h1-7,9,11-12H,8,10H2,(H,20,22)(H2,21,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279247
PNG
((Z)-5-[1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-methylide...)
Show SMILES O=C1NC(NCc2cccs2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N5OS/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8H,9H2,(H,17,18)(H2,19,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279099
PNG
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
Show InChI InChI=1S/C18H15N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H2,21,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279281
PNG
((Z)-5-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-[...)
Show SMILES O=C1NC(NCC2CCCO2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
Show InChI InChI=1S/C16H17N5O2/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1,4-5,7-8,11H,2-3,6,9H2,(H,17,18)(H2,19,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279214
PNG
((Z)-2-((S)-1-Phenyl-ethylamino)-5-[1-(1H-pyrrolo[2...)
Show SMILES C[C@H](NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1)c1ccccc1 |r,w:6.6,t:3|
Show InChI InChI=1S/C19H17N5O/c1-12(13-6-3-2-4-7-13)22-19-23-16(18(25)24-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12H,1H3,(H,20,21)(H2,22,23,24,25)/t12-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279249
PNG
((Z)-2-(Cyclohexylamino)-5-(1H-pyrrolo[2,3-b]pyridi...)
Show SMILES O=C1NC(NC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
Show InChI InChI=1S/C17H19N5O/c23-16-14(9-11-10-19-15-13(11)7-4-8-18-15)21-17(22-16)20-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23)
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n/an/a 21n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279335
PNG
(CHEMBL484988 | Z)-2-[(3,3-Dimethylbutyl)amino]-5-(...)
Show SMILES CC(C)(C)CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.10,t:7|
Show InChI InChI=1S/C17H21N5O/c1-17(2,3)6-8-19-16-21-13(15(23)22-16)9-11-10-20-14-12(11)5-4-7-18-14/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,20)(H2,19,21,22,23)
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n/an/a 24n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279144
PNG
((Z)-2-Piperidin-1-yl-5-(1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCCCC1 |w:6.7,c:3|
Show InChI InChI=1S/C16H17N5O/c22-15-13(19-16(20-15)21-7-2-1-3-8-21)9-11-10-18-14-12(11)5-4-6-17-14/h4-6,9-10H,1-3,7-8H2,(H,17,18)(H,19,20,22)
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n/an/a 25n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279372
PNG
((Z)-2-((S)-1-Phenyl-ethylamino)-5-[1-(1H-pyrrolo[2...)
Show SMILES C[C@H](NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12)c1ccccc1 |r,w:9.10,t:3|
Show InChI InChI=1S/C19H16N4OS/c1-12(13-6-3-2-4-7-13)22-19-23-18(24)16(25-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12H,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279143
PNG
((Z)-2-(3-Methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin...)
Show SMILES Cc1cccc(c1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
Show InChI InChI=1S/C18H14N4O/c1-11-4-2-5-12(8-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)6-3-7-19-17/h2-10H,1H3,(H,19,20)(H,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279250
PNG
((Z)-2-(Cyclopropylamino)-5-(1H-pyrrolo[2,3-b]pyrid...)
Show SMILES O=C1NC(NC2CC2)=NC1=Cc1c[nH]c2ncccc12 |w:10.12,c:8|
Show InChI InChI=1S/C14H13N5O/c20-13-11(18-14(19-13)17-9-3-4-9)6-8-7-16-12-10(8)2-1-5-15-12/h1-2,5-7,9H,3-4H2,(H,15,16)(H2,17,18,19,20)
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n/an/a 33n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279286
PNG
((Z)-2-(Pentylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES CCCCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:9.9,t:6|
Show InChI InChI=1S/C16H19N5O/c1-2-3-4-7-18-16-20-13(15(22)21-16)9-11-10-19-14-12(11)6-5-8-17-14/h5-6,8-10H,2-4,7H2,1H3,(H,17,19)(H2,18,20,21,22)
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n/an/a 35n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279336
PNG
((Z)-2-[(2-Hydroxyethyl)amino]-5-(1H-pyrrolo[2,3-b]...)
Show SMILES OCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4|
Show InChI InChI=1S/C13H13N5O2/c19-5-4-15-13-17-10(12(20)18-13)6-8-7-16-11-9(8)2-1-3-14-11/h1-3,6-7,19H,4-5H2,(H,14,16)(H2,15,17,18,20)
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n/an/a 37n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279184
PNG
((Z)-2-[(3-Chlorobenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)
Show SMILES Clc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8|
Show InChI InChI=1S/C18H14ClN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)
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n/an/a 39n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279284
PNG
((Z)-2-(Ethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-y...)
Show SMILES CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:6.6,t:3|
Show InChI InChI=1S/C13H13N5O/c1-2-14-13-17-10(12(19)18-13)6-8-7-16-11-9(8)4-3-5-15-11/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18,19)
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n/an/a 45n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279179
PNG
((Z)-2-Morpholin-4-yl-5-[1-(1H-pyrrolo[2,3-b]pyridi...)
Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCOCC1 |w:6.7,c:3|
Show InChI InChI=1S/C15H15N5O2/c21-14-12(18-15(19-14)20-4-6-22-7-5-20)8-10-9-17-13-11(10)2-1-3-16-13/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)
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n/an/a 47n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279142
PNG
((Z)-2-(4-Methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin...)
Show SMILES Cc1ccc(cc1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
Show InChI InChI=1S/C18H14N4O/c1-11-4-6-12(7-5-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)3-2-8-19-17/h2-10H,1H3,(H,19,20)(H,21,22,23)
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n/an/a 47n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258814
PNG
((S)-2-amino-N-(3-(5-(5-(2-methoxyphenylamino)-1,3,...)
Show SMILES COc1ccccc1Nc1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13(27)20(34)28-12-14-6-5-7-15(10-14)33-17(11-19(32-33)23(24,25)26)21-30-31-22(36-21)29-16-8-3-4-9-18(16)35-2/h3-11,13H,12,27H2,1-2H3,(H,28,34)(H,29,31)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279060
PNG
((Z)-2-phenyl-5-(1Hpyrrolo[2,3-b]pyridin-3-ylmethyl...)
Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1ccccc1 |w:6.7,c:3|
Show InChI InChI=1S/C17H12N4O/c22-17-14(20-15(21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10H,(H,18,19)(H,20,21,22)
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n/an/a 50n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279182
PNG
((Z)-2-[(3-Methylbenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)
Show SMILES Cc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8|
Show InChI InChI=1S/C19H17N5O/c1-12-4-2-5-13(8-12)10-22-19-23-16(18(25)24-19)9-14-11-21-17-15(14)6-3-7-20-17/h2-9,11H,10H2,1H3,(H,20,21)(H2,22,23,24,25)
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n/an/a 50n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258789
PNG
((S)-2-amino-N-(3-(5-(5-(2-chlorophenyl)-1,3,4-oxad...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C22H18ClF3N6O2/c1-12(27)19(33)28-11-13-5-4-6-14(9-13)32-17(10-18(31-32)22(24,25)26)21-30-29-20(34-21)15-7-2-3-8-16(15)23/h2-10,12H,11,27H2,1H3,(H,28,33)/t12-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258787
PNG
((S)-2-amino-N-(3-(5-(5-(2-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F3N6O3/c1-13(27)20(33)28-12-14-6-5-7-15(10-14)32-17(11-19(31-32)23(24,25)26)22-30-29-21(35-22)16-8-3-4-9-18(16)34-2/h3-11,13H,12,27H2,1-2H3,(H,28,33)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279212
PNG
((Z)-2-[(3-Bromobenzyl)amino]-5-(1H-pyrrolo[2,3-b]p...)
Show SMILES Brc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8|
Show InChI InChI=1S/C18H14BrN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)
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n/an/a 55n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279141
PNG
((Z)-2-Pyridin-3-yl-5-(1H-pyrrolo[2,3-b]pyridin-3-y...)
Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1cccnc1 |w:6.7,c:3|
Show InChI InChI=1S/C16H11N5O/c22-16-13(20-14(21-16)10-3-1-5-17-8-10)7-11-9-19-15-12(11)4-2-6-18-15/h1-9H,(H,18,19)(H,20,21,22)
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n/an/a 60n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258747
PNG
((S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N6O2/c1-13(26)19(32)27-12-14-6-5-9-16(10-14)31-17(11-18(30-31)22(23,24)25)21-29-28-20(33-21)15-7-3-2-4-8-15/h2-11,13H,12,26H2,1H3,(H,27,32)/t13-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279282
PNG
((Z)-2-[(cyclohexylmethyl)amino]-5-(1H-pyrrolo[2,3-...)
Show SMILES O=C1NC(NCC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
Show InChI InChI=1S/C18H21N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,19,20)(H2,21,22,23,24)
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n/an/a 64n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279181
PNG
((Z)-2-(2-Methyl-morpholin-4-yl)-5-[1-(1H-pyrrolo[2...)
Show SMILES CC1CN(CCO1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
Show InChI InChI=1S/C16H17N5O2/c1-10-9-21(5-6-23-10)16-19-13(15(22)20-16)7-11-8-18-14-12(11)3-2-4-17-14/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,18)(H,19,20,22)
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n/an/a 66n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM27659
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279211
PNG
((Z)-2-[(4-Chlorobenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)
Show SMILES Clc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7|
Show InChI InChI=1S/C18H14ClN5O/c19-13-5-3-11(4-6-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)2-1-7-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50279099
PNG
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
Show InChI InChI=1S/C18H15N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H2,21,22,23,24)
PDB
MMDB

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n/an/a 95n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdk9/cyclinT (unknown origin)


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279180
PNG
((Z)-2-(4-Methyl-piperidin-1-yl)-5-[1-(1H-pyrrolo[2...)
Show SMILES CC1CCN(CC1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
Show InChI InChI=1S/C17H19N5O/c1-11-4-7-22(8-5-11)17-20-14(16(23)21-17)9-12-10-19-15-13(12)3-2-6-18-15/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)
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n/an/a 105n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279102
PNG
((Z)-N-(3-{[2-(Benzylamino)-5-oxo-1,5-dihydro-4H-im...)
Show SMILES CC(=O)Nc1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:11.10,t:13|
Show InChI InChI=1S/C20H18N6O2/c1-12(27)24-15-8-16-14(10-21-18(16)22-11-15)7-17-19(28)26-20(25-17)23-9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,22)(H,24,27)(H2,23,25,26,28)
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n/an/a 116n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279213
PNG
((Z)-2-[(4-Bromobenzyl)amino]-5-(1H-pyrrolo[2,3-b]p...)
Show SMILES Brc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7|
Show InChI InChI=1S/C18H14BrN5O/c19-13-5-3-11(4-6-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)2-1-7-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)
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n/an/a 127n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279283
PNG
((Z)-2-(Adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]p...)
Show SMILES O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=NC1=Cc1c[nH]c2ncccc12 |w:18.22,c:18,TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7|
Show InChI InChI=1S/C22H25N5O/c28-20-18(7-16-11-24-19-17(16)2-1-3-23-19)26-21(27-20)25-12-22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,11,13-15H,4-6,8-10,12H2,(H,23,24)(H2,25,26,27,28)
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n/an/a 128n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258815
PNG
((S)-2-amino-N-(3-(3-methyl-5-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(C)cc1-c1nnc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H22N6O2/c1-14-11-19(22-26-25-21(30-22)17-8-4-3-5-9-17)28(27-14)18-10-6-7-16(12-18)13-24-20(29)15(2)23/h3-12,15H,13,23H2,1-2H3,(H,24,29)/t15-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279100
PNG
((Z)-2-(Benzylamino)-5-[(5-nitro-1H-pyrrolo[2,3-b]p...)
Show SMILES [O-][N+](=O)c1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:10.9,t:12|
Show InChI InChI=1S/C18H14N6O3/c25-17-15(22-18(23-17)21-8-11-4-2-1-3-5-11)6-12-9-19-16-14(12)7-13(10-20-16)24(26)27/h1-7,9-10H,8H2,(H,19,20)(H2,21,22,23,25)
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n/an/a 130n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258788
PNG
((S)-2-amino-N-(3-(5-(5-(3-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1cccc(c1)-c1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F3N6O3/c1-13(27)20(33)28-12-14-5-3-7-16(9-14)32-18(11-19(31-32)23(24,25)26)22-30-29-21(35-22)15-6-4-8-17(10-15)34-2/h3-11,13H,12,27H2,1-2H3,(H,28,33)/t13-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279183
PNG
((Z)-2-[(4-Methylbenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)
Show SMILES Cc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7|
Show InChI InChI=1S/C19H17N5O/c1-12-4-6-13(7-5-12)10-22-19-23-16(18(25)24-19)9-14-11-21-17-15(14)3-2-8-20-17/h2-9,11H,10H2,1H3,(H,20,21)(H2,22,23,24,25)
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n/an/a 162n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279252
PNG
((Z)-2-[(4-tert-Butylcyclohexyl)amino]-5-(1H-pyrrol...)
Show SMILES CC(C)(C)C1CCC(CC1)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:14.15,t:12,(17.84,-46.38,;17.85,-44.85,;16.31,-44.83,;19.39,-44.87,;17.88,-43.31,;16.55,-42.51,;16.58,-40.98,;17.92,-40.23,;19.25,-41.01,;19.22,-42.55,;17.93,-38.69,;16.53,-38.07,;15.2,-38.84,;14.05,-37.8,;12.54,-38.12,;12.07,-39.59,;12.98,-40.84,;12.07,-42.1,;10.59,-41.62,;9.26,-42.39,;7.93,-41.62,;7.93,-40.07,;9.25,-39.3,;10.59,-40.07,;14.68,-36.4,;13.91,-35.07,;16.21,-36.56,)|
Show InChI InChI=1S/C21H27N5O/c1-21(2,3)14-6-8-15(9-7-14)24-20-25-17(19(27)26-20)11-13-12-23-18-16(13)5-4-10-22-18/h4-5,10-12,14-15H,6-9H2,1-3H3,(H,22,23)(H2,24,25,26,27)
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n/an/a 207n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258748
PNG
((S)-2-amino-N-(3-(5-(3-phenyl-1,2,4-oxadiazol-5-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nc(no1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N6O2/c1-13(26)20(32)27-12-14-6-5-9-16(10-14)31-17(11-18(29-31)22(23,24)25)21-28-19(30-33-21)15-7-3-2-4-8-15/h2-11,13H,12,26H2,1H3,(H,27,32)/t13-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation


Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279101
PNG
((Z)-5-[(5-Amino-1H-pyrrolo[2,3-b]pyridin-3-yl)meth...)
Show SMILES Nc1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:8.7,t:10|
Show InChI InChI=1S/C18H16N6O/c19-13-7-14-12(9-20-16(14)21-10-13)6-15-17(25)24-18(23-15)22-8-11-4-2-1-3-5-11/h1-7,9-10H,8,19H2,(H,20,21)(H2,22,23,24,25)
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n/an/a 238n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50279337
PNG
((Z)-2-(Heptylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)
Show SMILES CCCCCCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:11.11,t:8|
Show InChI InChI=1S/C18H23N5O/c1-2-3-4-5-6-9-20-18-22-15(17(24)23-18)11-13-12-21-16-14(13)8-7-10-19-16/h7-8,10-12H,2-6,9H2,1H3,(H,19,21)(H2,20,22,23,24)
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n/an/a 247n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2


J Med Chem 52: 4380-90 (2009)


Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C
More data for this
Ligand-Target Pair
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