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Compile Data Set for Download or QSAR

Found 1107 hits with Last Name = 'soni' and Initial = 'n'   
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
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365698
PNG
(CHEMBL1958411)
Show SMILES CN(C1CCCCC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H21N5O/c1-23(12-6-3-2-4-7-12)18-21-15(10-16(24)22-18)14-11-20-17-13(14)8-5-9-19-17/h5,8-12H,2-4,6-7H2,1H3,(H,19,20)(H,21,22,24)
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365703
PNG
(CHEMBL1958417)
Show SMILES CN1CCC(CC1)Nc1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H20N6O/c1-23-7-4-11(5-8-23)20-17-21-14(9-15(24)22-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H2,20,21,22,24)
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365699
PNG
(CHEMBL1958412)
Show SMILES O=c1cc(nc(Nc2ccccc2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H13N5O/c23-15-9-14(13-10-19-16-12(13)7-4-8-18-16)21-17(22-15)20-11-5-2-1-3-6-11/h1-10H,(H,18,19)(H2,20,21,22,23)
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365702
PNG
(CHEMBL1958416)
Show SMILES O=c1cc(nc(NC2CCOCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H17N5O2/c22-14-8-13(12-9-18-15-11(12)2-1-5-17-15)20-16(21-14)19-10-3-6-23-7-4-10/h1-2,5,8-10H,3-4,6-7H2,(H,17,18)(H2,19,20,21,22)
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0.140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365701
PNG
(CHEMBL1958415)
Show SMILES O=c1cc(nc([nH]1)N1CCOCC1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H15N5O2/c21-13-8-12(11-9-17-14-10(11)2-1-3-16-14)18-15(19-13)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365700
PNG
(CHEMBL1958414)
Show SMILES COCCN(CCOC)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H21N5O3/c1-24-8-6-22(7-9-25-2)17-20-14(10-15(23)21-17)13-11-19-16-12(13)4-3-5-18-16/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,20,21,23)
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365706
PNG
(CHEMBL1958420)
Show SMILES COC1CCN(CC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H19N5O2/c1-24-11-4-7-22(8-5-11)17-20-14(9-15(23)21-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365705
PNG
(CHEMBL1958419)
Show SMILES OC1CCN(CC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H17N5O2/c22-10-3-6-21(7-4-10)16-19-13(8-14(23)20-16)12-9-18-15-11(12)2-1-5-17-15/h1-2,5,8-10,22H,3-4,6-7H2,(H,17,18)(H,19,20,23)
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365704
PNG
(CHEMBL1958418)
Show SMILES O=c1cc(nc([nH]1)-c1ccccc1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H12N4O/c22-15-9-14(13-10-19-17-12(13)7-4-8-18-17)20-16(21-15)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,20,21,22)
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
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
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365693
PNG
(CHEMBL1958406)
Show SMILES O=c1nc(nc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H18N6O/c23-16-21-14(12-9-18-13-11(12)7-4-8-17-13)20-15(22-16)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,17,18)(H2,19,20,21,22,23)
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM35048
PNG
(benzothienopyrimidinone deriv., 20c)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1
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0.400 -53.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein 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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0.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365692
PNG
(CHEMBL1958404)
Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H19N5O/c23-16-9-15(11-6-7-14-12(8-11)10-18-22-14)20-17(21-16)19-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,18,22)(H2,19,20,21,23)
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0.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35042
PNG
(benzothienopyrimidinone deriv., 18b)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCCCN)cc1
Show InChI InChI=1S/C22H24N4O2S/c1-26(2)13-19-24-20-17-12-15(6-9-18(17)29-21(20)22(27)25-19)14-4-7-16(8-5-14)28-11-3-10-23/h4-9,12H,3,10-11,13,23H2,1-2H3,(H,24,25,27)
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0.600 -52.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35048
PNG
(benzothienopyrimidinone deriv., 20c)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1
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0.700 -52.3n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300018
PNG
(2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35050
PNG
(benzothienopyrimidinone deriv., 20e)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r|
Show InChI InChI=1S/C20H21N3O2S/c24-14-7-8-23(10-14)11-17-21-18-15-9-13(4-3-12-1-2-12)5-6-16(15)26-19(18)20(25)22-17/h3-6,9,12,14,24H,1-2,7-8,10-11H2,(H,21,22,25)/b4-3+/t14-/m0/s1
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0.800 -51.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35043
PNG
(benzothienopyrimidinone deriv., 19a)
Show SMILES Oc1cccc(NCc2nc3c4cc(Br)ccc4sc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H12BrN3O2S/c18-9-4-5-13-12(6-9)15-16(24-13)17(23)21-14(20-15)8-19-10-2-1-3-11(22)7-10/h1-7,19,22H,8H2,(H,20,21,23)
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0.800 -51.9n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM34997
PNG
(benzothienopyrimidinone deriv., 6n)
Show SMILES Oc1cccc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H12ClN3O2S/c18-9-4-5-13-12(6-9)15-16(24-13)17(23)21-14(20-15)8-19-10-2-1-3-11(22)7-10/h1-7,19,22H,8H2,(H,20,21,23)
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0.900 -51.3n/an/an/an/an/a7.523



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
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
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM35050
PNG
(benzothienopyrimidinone deriv., 20e)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r|
Show InChI InChI=1S/C20H21N3O2S/c24-14-7-8-23(10-14)11-17-21-18-15-9-13(4-3-12-1-2-12)5-6-16(15)26-19(18)20(25)22-17/h3-6,9,12,14,24H,1-2,7-8,10-11H2,(H,21,22,25)/b4-3+/t14-/m0/s1
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0.900 -51.6n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300015
PNG
(2-(4-(Pyridin-3-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H14N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1-11H,(H2,20,24)(H,22,23)
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0.950n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300008
PNG
(2-(4-(1,3,4-Oxadiazol-2-yl)phenyl)-1H-benzo[d]imid...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C16H11N5O2/c17-14(22)11-2-1-3-12-13(11)20-15(19-12)9-4-6-10(7-5-9)16-21-18-8-23-16/h1-8H,(H2,17,22)(H,19,20)
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043652
PNG
(CHEMBL3355537)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.61,-16.41,;55.29,-15.63,;55.3,-14.08,;53.96,-13.32,;53.96,-11.78,;52.63,-11.01,;52.63,-9.47,;51.3,-8.71,;51.3,-7.16,;49.97,-6.39,;48.64,-7.15,;48.63,-8.69,;49.96,-9.47,;47.3,-9.46,;46.98,-10.95,;45.46,-11.1,;44.85,-9.71,;45.98,-8.69,;45.98,-7.14,;44.65,-6.37,;43.31,-7.15,;43.31,-8.69,;41.98,-6.37,;41.98,-4.83,;43.31,-4.06,;44.65,-4.82,;45.97,-4.05,;47.3,-6.37,;47.31,-4.83,;51.29,-11.78,;51.29,-13.32,;52.62,-14.08,;52.62,-15.61,;51.52,-16.7,;51.12,-15.21,;53.95,-16.4,)|
Show InChI InChI=1S/C26H21ClFN7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043651
PNG
(CHEMBL3355536)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(43.1,-16.05,;41.77,-15.27,;41.78,-13.73,;40.45,-12.96,;40.45,-11.43,;39.12,-10.66,;39.12,-9.12,;37.79,-8.35,;37.79,-6.8,;36.46,-6.03,;35.13,-6.8,;35.12,-8.34,;36.45,-9.11,;33.79,-9.1,;33.47,-10.59,;31.95,-10.74,;31.34,-9.35,;32.47,-8.34,;32.47,-6.79,;31.14,-6.02,;31.13,-4.47,;32.46,-3.69,;29.8,-3.71,;28.47,-4.47,;28.46,-6.02,;29.8,-6.79,;29.8,-8.33,;33.79,-6.02,;33.79,-4.48,;37.78,-11.42,;37.77,-12.96,;39.11,-13.73,;39.1,-15.25,;38,-16.34,;37.61,-14.85,;40.44,-16.04,)|
Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217112
PNG
(US9302989, 407)
Show SMILES O=C(Nc1ccc(cc1)C1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H27N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-13,21H,14-19H2,(H,28,32)
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043649
PNG
(CHEMBL3355534)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(12.64,-19.06,;12.65,-17.52,;11.32,-16.75,;11.33,-15.22,;12.66,-14.45,;14,-15.22,;13.99,-16.76,;12.66,-12.91,;11.33,-12.14,;11.34,-10.6,;12.67,-9.84,;12.68,-8.3,;11.35,-7.53,;11.35,-5.98,;10.02,-5.21,;8.69,-5.98,;8.68,-7.52,;10.01,-8.29,;7.35,-8.28,;7.02,-9.77,;5.51,-9.92,;4.89,-8.53,;6.04,-7.51,;6.03,-5.97,;4.7,-5.2,;4.69,-3.65,;6.02,-2.87,;3.35,-2.89,;2.02,-3.65,;2.02,-5.2,;3.36,-5.97,;3.36,-7.51,;7.36,-5.2,;7.36,-3.66,;14,-10.61,;14.01,-12.14,)|
Show InChI InChI=1S/C25H22Cl2N8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043648
PNG
(CHEMBL3355533)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1 |(14.17,-58.52,;12.84,-57.74,;12.85,-56.2,;11.52,-55.43,;11.52,-53.9,;10.19,-53.13,;10.19,-51.59,;8.86,-50.82,;8.86,-49.27,;7.53,-48.5,;6.2,-49.27,;6.19,-50.81,;7.52,-51.58,;4.86,-51.57,;4.54,-53.07,;3.02,-53.22,;2.41,-51.82,;3.55,-50.8,;3.54,-49.26,;2.21,-48.49,;.87,-49.26,;-.47,-48.49,;-.47,-46.95,;.87,-46.18,;2.2,-46.94,;3.53,-46.16,;4.87,-48.49,;4.87,-46.95,;8.85,-53.89,;8.85,-55.43,;10.18,-56.2,;10.17,-57.73,;9.08,-58.81,;8.68,-57.32,;11.51,-58.51,)|
Show InChI InChI=1S/C26H24ClN7O/c1-26(2)15-32(3)14-16-12-17(8-9-19(16)26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-7-5-4-6-20(21)27/h4-13H,14-15H2,1-3H3,(H,29,30,31)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35028
PNG
(benzothienopyrimidinone deriv., 14m)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C19H16FN3O2S/c1-23(2)9-16-21-17-12-7-10(11-3-5-14(24)13(20)8-11)4-6-15(12)26-18(17)19(25)22-16/h3-8,24H,9H2,1-2H3,(H,21,22,25)
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1 -51.4n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35021
PNG
(benzothienopyrimidinone deriv., 14f)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(O)c1
Show InChI InChI=1S/C19H17N3O2S/c1-22(2)10-16-20-17-14-9-12(11-4-3-5-13(23)8-11)6-7-15(14)25-18(17)19(24)21-16/h3-9,23H,10H2,1-2H3,(H,20,21,24)
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1 -51.4n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043654
PNG
(CHEMBL3355539)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(16.1,-31.75,;14.78,-30.97,;14.79,-29.43,;13.45,-28.67,;13.45,-27.13,;12.12,-26.36,;12.13,-24.82,;10.79,-24.05,;10.79,-22.5,;9.46,-21.73,;8.13,-22.5,;8.12,-24.04,;9.45,-24.81,;6.79,-24.8,;6.47,-26.3,;4.95,-26.45,;4.34,-25.05,;5.47,-24.04,;5.47,-22.49,;4.14,-21.72,;2.8,-22.49,;2.8,-24.03,;1.47,-21.72,;1.47,-20.17,;2.8,-19.41,;4.14,-20.17,;5.46,-19.4,;6.79,-21.72,;6.8,-20.18,;10.78,-27.13,;10.78,-28.67,;12.12,-29.43,;12.11,-30.96,;11.01,-32.05,;10.62,-30.55,;13.44,-31.74,)|
Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35012
PNG
(benzothienopyrimidinone deriv., 12b)
Show SMILES CN(C)Cc1nc2c3cc(\C=C\C4CC4)ccc3sc2c(=O)[nH]1
Show InChI InChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+
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1 -51.0n/an/an/an/an/a7.523



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043653
PNG
(CHEMBL3355538)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(70,-15.67,;68.68,-14.89,;68.68,-13.34,;67.35,-12.58,;67.35,-11.04,;66.02,-10.28,;66.02,-8.73,;64.69,-7.97,;64.69,-6.42,;63.36,-5.65,;62.03,-6.41,;62.02,-7.95,;63.35,-8.73,;60.69,-8.72,;60.37,-10.21,;58.85,-10.36,;58.23,-8.96,;59.37,-7.95,;59.37,-6.4,;58.04,-5.63,;58.03,-4.08,;59.36,-3.31,;56.69,-3.32,;55.36,-4.09,;55.36,-5.63,;56.7,-6.41,;56.7,-7.95,;60.69,-5.63,;60.69,-4.09,;64.68,-11.04,;64.67,-12.58,;66.01,-13.34,;66,-14.87,;64.9,-15.96,;64.51,-14.47,;67.34,-15.66,)|
Show InChI InChI=1S/C26H23Cl2N7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM35041
PNG
(benzothienopyrimidinone deriv., 18a)
Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCC(O)CO)cc1
Show InChI InChI=1S/C22H23N3O4S/c1-25(2)10-19-23-20-17-9-14(5-8-18(17)30-21(20)22(28)24-19)13-3-6-16(7-4-13)29-12-15(27)11-26/h3-9,15,26-27H,10-12H2,1-2H3,(H,23,24,28)
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1 -51.4n/an/an/an/an/an/a25



Abbott Laboratories



Assay Description
In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...


J Med Chem 52: 6621-36 (2009)


Article DOI: 10.1021/jm900943h
BindingDB Entry DOI: 10.7270/Q27P8WQW
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365696
PNG
(CHEMBL1958409)
Show SMILES O=c1cc(NC2CCCCC2)cc([nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4O/c23-17-10-13(21-12-5-2-1-3-6-12)9-16(22-17)15-11-20-18-14(15)7-4-8-19-18/h4,7-12H,1-3,5-6H2,(H,19,20)(H2,21,22,23)
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043646
PNG
(CHEMBL3355531)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.69,-46.11,;55.36,-45.33,;55.36,-43.79,;54.03,-43.02,;54.03,-41.48,;52.7,-40.72,;52.71,-39.18,;51.37,-38.41,;51.38,-36.86,;50.05,-36.09,;48.72,-36.85,;48.71,-38.4,;50.04,-39.17,;47.38,-39.16,;47.05,-40.65,;45.53,-40.81,;44.92,-39.41,;46.06,-38.39,;46.06,-36.84,;44.72,-36.08,;43.38,-36.85,;42.05,-36.08,;42.05,-34.53,;43.38,-33.76,;44.72,-34.53,;46.05,-33.75,;47.38,-36.08,;47.38,-34.54,;51.36,-41.48,;51.36,-43.02,;52.7,-43.79,;52.69,-45.31,;51.59,-46.4,;51.2,-44.91,;54.02,-46.1,)|
Show InChI InChI=1S/C26H22ClN7O/c1-32-14-16-12-17(6-7-19(16)26(15-32)8-9-26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-5-3-2-4-20(21)27/h2-7,10-13H,8-9,14-15H2,1H3,(H,29,30,31)
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1.20n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300019
PNG
(2-(4-(1H-Imidazol-5-yl)phenyl)-1H-benzo[d]imidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C17H13N5O/c18-16(23)12-2-1-3-13-15(12)22-17(21-13)11-6-4-10(5-7-11)14-8-19-9-20-14/h1-9H,(H2,18,23)(H,19,20)(H,21,22)
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365694
PNG
(CHEMBL1958407)
Show SMILES O=c1nc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H19N5O/c23-17-21-14(13-10-19-16-12(13)7-4-8-18-16)9-15(22-17)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23)
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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/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
CHEMBL4060799
PNG
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1.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217057
PNG
(US9302989, 349)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C25H31N3O2/c29-24(21-9-2-1-3-10-21)27-16-13-20(14-17-27)8-6-7-15-26-25(30)28-18-22-11-4-5-12-23(22)19-28/h1-5,9-12,20H,6-8,13-19H2,(H,26,30)
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043643
PNG
(CHEMBL3355528)
Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1 |(14.28,-46.36,;12.95,-45.58,;11.61,-46.35,;10.29,-45.57,;10.29,-44.04,;8.96,-43.27,;8.96,-41.73,;10.3,-40.97,;10.3,-39.43,;8.97,-38.65,;8.97,-37.11,;7.64,-36.34,;6.31,-37.1,;6.3,-38.64,;7.63,-39.42,;4.97,-39.41,;4.65,-40.9,;3.13,-41.05,;2.52,-39.66,;3.66,-38.64,;3.65,-37.09,;2.32,-36.33,;.98,-37.1,;-.36,-36.33,;-.36,-34.78,;.98,-34.01,;2.31,-34.78,;3.64,-34,;4.98,-36.33,;4.98,-34.79,;11.63,-41.73,;11.63,-43.27,;12.96,-44.04,)|
Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29)
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1.60n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300009
PNG
(2-(4-(5-Oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C16H11N5O3/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-21-16(23)24-15/h1-7H,(H2,17,22)(H,18,19)(H,21,23)
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300021
PNG
(2-(4-(Thiazol-4-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cscn1
Show InChI InChI=1S/C17H12N4OS/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-23-9-19-14/h1-9H,(H2,18,22)(H,20,21)
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
CHEMBL4083505
PNG
PDB
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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300016
PNG
(2-(4-(Pyridin-2-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23)
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
CHEMBL4096471
PNG
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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043650
PNG
(CHEMBL3355535)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)|
Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)
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2n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
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