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Compile Data Set for Download or QSAR

Found 2195 hits with Last Name = 'florjancic' and Initial = 'as'   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062051
PNG
(1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-3-[4-(2-me...)
Show SMILES COC(=O)c1cc(cc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28FN5O4/c1-20-37-28-17-36-14-13-29(28)39(20)18-21-5-7-23(8-6-21)32(41)27-19-40(34(43)38(2)3)30-16-24(22-9-11-25(35)12-10-22)15-26(31(27)30)33(42)44-4/h5-17,19H,18H2,1-4H3
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0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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))
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062066
PNG
(3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-b...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)S(=O)(=O)C(C)C
Show InChI InChI=1S/C28H26N4O5S/c1-17(2)38(35,36)32-16-22(26-21(28(34)37-4)6-5-7-25(26)32)27(33)20-10-8-19(9-11-20)15-31-18(3)30-23-14-29-13-12-24(23)31/h5-14,16-17H,15H2,1-4H3
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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))
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))
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50048485
PNG
((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...)
Show SMILES CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1
Show InChI InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50048485
PNG
((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...)
Show SMILES CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1
Show InChI InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062069
PNG
(4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-y...)
Show SMILES COC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1
Show InChI InChI=1S/C26H22N4O4/c1-15-28-19-13-27-12-11-20(19)30(15)14-16-7-9-17(10-8-16)25(31)23-22-18(5-4-6-21(22)33-2)29-24(23)26(32)34-3/h4-13,29H,14H2,1-3H3
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0.510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062056
PNG
(1-Dimethylcarbamoyl-3-{2-[4-(2-methyl-imidazo[4,5-...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)Cc3ccc(cc3)-n3c(C)nc4cnccc34)c12)C(=O)N(C)C
Show InChI InChI=1S/C28H25N5O4/c1-17-30-22-15-29-13-12-23(22)33(17)19-10-8-18(9-11-19)14-25(34)21-16-32(28(36)31(2)3)24-7-5-6-20(26(21)24)27(35)37-4/h5-13,15-16H,14H2,1-4H3
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062101
PNG
(4-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES CNC(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
Show InChI InChI=1S/C27H20FN5O2/c1-4-17-6-5-7-24-25(17)20(15-33(24)27(35)29-3)26(34)18-8-9-19(21(28)12-18)14-32-16(2)31-22-13-30-11-10-23(22)32/h1,5-13,15H,14H2,2-3H3,(H,29,35)
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062061
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-3-[4-(2-methyl-imidaz...)
Show SMILES COC(=O)c1cccc2n(CC(=O)C(C)(C)C)cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12
Show InChI InChI=1S/C31H30N4O4/c1-19-33-24-15-32-14-13-25(24)35(19)16-20-9-11-21(12-10-20)29(37)23-17-34(18-27(36)31(2,3)4)26-8-6-7-22(28(23)26)30(38)39-5/h6-15,17H,16,18H2,1-5H3
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0.670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062045
PNG
(6-Benzofuran-2-yl-1-dimethylcarbamoyl-3-[4-(2-meth...)
Show SMILES COC(=O)c1cc(cc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C)-c1cc2ccccc2o1
Show InChI InChI=1S/C36H29N5O5/c1-21-38-28-18-37-14-13-29(28)40(21)19-22-9-11-23(12-10-22)34(42)27-20-41(36(44)39(2)3)30-16-25(15-26(33(27)30)35(43)45-4)32-17-24-7-5-6-8-31(24)46-32/h5-18,20H,19H2,1-4H3
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0.780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062082
PNG
(4-Methyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)cc2)c2c(C)cccc12
Show InChI InChI=1S/C27H25N5O2/c1-17-6-5-7-24-25(17)21(16-32(24)27(34)30(3)4)26(33)20-10-8-19(9-11-20)15-31-18(2)29-22-14-28-13-12-23(22)31/h5-14,16H,15H2,1-4H3
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0.820n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062113
PNG
(1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]p...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C
Show InChI InChI=1S/C28H25N5O4/c1-17-30-22-14-29-13-12-23(22)32(17)15-18-8-10-19(11-9-18)26(34)21-16-33(28(36)31(2)3)24-7-5-6-20(25(21)24)27(35)37-4/h5-14,16H,15H2,1-4H3
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0.850n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062064
PNG
(1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]p...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)cc2)c2c(cccc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H29N5O4/c1-22-36-28-18-35-17-16-29(28)38(22)19-23-12-14-25(15-13-23)32(40)27-20-39(34(42)37(2)3)30-11-7-10-26(31(27)30)33(41)43-21-24-8-5-4-6-9-24/h4-18,20H,19,21H2,1-3H3
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0.860n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062092
PNG
((4,7-Dimethyl-1H-indol-3-yl)-[4-(2-methyl-imidazo[...)
Show SMILES Cc1nc2cnccc2n1Cc1ccc(cc1)C(=O)c1c[nH]c2c(C)ccc(C)c12
Show InChI InChI=1S/C25H22N4O/c1-15-4-5-16(2)24-23(15)20(12-27-24)25(30)19-8-6-18(7-9-19)14-29-17(3)28-21-13-26-11-10-22(21)29/h4-13,27H,14H2,1-3H3
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0.870n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062106
PNG
(4-Chloro-3-[4-(2-methyl-imidazo[4,5-b]pyridin-1-yl...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4ncccc34)cc2)c2c(Cl)cccc12
Show InChI InChI=1S/C26H22ClN5O2/c1-16-29-25-22(8-5-13-28-25)31(16)14-17-9-11-18(12-10-17)24(33)19-15-32(26(34)30(2)3)21-7-4-6-20(27)23(19)21/h4-13,15H,14H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062118
PNG
(4-Ethyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylm...)
Show SMILES CCc1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C
Show InChI InChI=1S/C28H27N5O2/c1-5-20-7-6-8-25-26(20)22(17-33(25)28(35)31(3)4)27(34)21-11-9-19(10-12-21)16-32-18(2)30-23-15-29-14-13-24(23)32/h6-15,17H,5,16H2,1-4H3
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0.910n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062048
PNG
(1-Dimethylcarbamoyl-3-[4-(2-methyl-benzoimidazol-1...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5ccccc45)cc3)c12)C(=O)N(C)C
Show InChI InChI=1S/C29H26N4O4/c1-18-30-23-9-5-6-10-24(23)32(18)16-19-12-14-20(15-13-19)27(34)22-17-33(29(36)31(2)3)25-11-7-8-21(26(22)25)28(35)37-4/h5-15,17H,16H2,1-4H3
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0.920n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062098
PNG
(1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]p...)
Show SMILES COC(=O)c1cc(cc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C)C#Cc1ccccc1
Show InChI InChI=1S/C36H29N5O4/c1-23-38-30-20-37-17-16-31(30)40(23)21-25-12-14-27(15-13-25)34(42)29-22-41(36(44)39(2)3)32-19-26(11-10-24-8-6-5-7-9-24)18-28(33(29)32)35(43)45-4/h5-9,12-20,22H,21H2,1-4H3
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0.950n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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 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 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))
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062054
PNG
(4-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
Show InChI InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062054
PNG
(4-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
Show InChI InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062091
PNG
(1-(2-Ethoxy-ethyl)-3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES CCOCCn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)cc2)c2c(cccc12)C(=O)OC
Show InChI InChI=1S/C29H28N4O4/c1-4-37-15-14-32-18-23(27-22(29(35)36-3)6-5-7-26(27)32)28(34)21-10-8-20(9-11-21)17-33-19(2)31-24-16-30-13-12-25(24)33/h5-13,16,18H,4,14-15,17H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062058
PNG
(6-(4-Fluoro-phenyl)-3-[4-(2-methyl-imidazo[4,5-c]p...)
Show SMILES CN(C)C(=O)n1cc(c2ccc(cc12)-c1ccc(F)cc1)S(=O)(=O)N1CCN(Cn2c(C)nc3cnccc23)CC1
Show InChI InChI=1S/C29H30FN7O3S/c1-20-32-25-17-31-11-10-26(25)37(20)19-34-12-14-35(15-13-34)41(39,40)28-18-36(29(38)33(2)3)27-16-22(6-9-24(27)28)21-4-7-23(30)8-5-21/h4-11,16-18H,12-15,19H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062084
PNG
(4-Ethynyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-y...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)cc2)c2c(cccc12)C#C
Show InChI InChI=1S/C28H23N5O2/c1-5-20-7-6-8-25-26(20)22(17-33(25)28(35)31(3)4)27(34)21-11-9-19(10-12-21)16-32-18(2)30-23-15-29-14-13-24(23)32/h1,6-15,17H,16H2,2-4H3
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062110
PNG
(1-Isopropyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(C)C
Show InChI InChI=1S/C28H26N4O3/c1-17(2)31-16-22(26-21(28(34)35-4)6-5-7-25(26)31)27(33)20-10-8-19(9-11-20)15-32-18(3)30-23-14-29-13-12-24(23)32/h5-14,16-17H,15H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062049
PNG
(CHEMBL367964 | [7-(4-Fluoro-phenyl)-1H-indol-3-yl]...)
Show SMILES Cc1nc2cnccc2n1Cc1ccc(cc1)C(=O)c1c[nH]c2c(cccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H21FN4O/c1-18-33-26-16-31-14-13-27(26)34(18)17-19-5-7-21(8-6-19)29(35)25-15-32-28-23(3-2-4-24(25)28)20-9-11-22(30)12-10-20/h2-16,32H,17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062128
PNG
(6-Bromo-1-dimethylcarbamoyl-3-[4-(2-methyl-imidazo...)
Show SMILES COC(=O)c1cc(Br)cc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C
Show InChI InChI=1S/C28H24BrN5O4/c1-16-31-22-13-30-10-9-23(22)33(16)14-17-5-7-18(8-6-17)26(35)21-15-34(28(37)32(2)3)24-12-19(29)11-20(25(21)24)27(36)38-4/h5-13,15H,14H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062126
PNG
(1-Carbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(N)=O
Show InChI InChI=1S/C26H21N5O4/c1-15-29-20-12-28-11-10-21(20)30(15)13-16-6-8-17(9-7-16)24(32)19-14-31(26(27)34)22-5-3-4-18(23(19)22)25(33)35-2/h3-12,14H,13H2,1-2H3,(H2,27,34)
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
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