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Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'reader' and Initial = 'jc'   
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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 0.100n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Farnesyltransferase quantified by modified SPA assay with improved sensitivity


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180866
PNG
(US9133180, 7)
Show SMILES Cc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Show InChI InChI=1S/C25H26FN5O2/c1-14-12-18(26)20-17(8-9-28-20)19(14)24-30-21(23(27)32)22(33-24)15-4-6-16(7-5-15)31-11-10-29-25(2,3)13-31/h4-9,12,28-29H,10-11,13H2,1-3H3,(H2,27,32)
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n/an/a 0.480n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180867
PNG
(US9133180, 8)
Show SMILES Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12
Show InChI InChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31)
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n/an/a 0.550n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180869
PNG
(US9133180, 10)
Show SMILES CCc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12
Show InChI InChI=1S/C26H29N5O2/c1-4-16-7-10-20(19-11-12-28-21(16)19)25-30-22(24(27)32)23(33-25)17-5-8-18(9-6-17)31-14-13-29-26(2,3)15-31/h5-12,28-29H,4,13-15H2,1-3H3,(H2,27,32)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180861
PNG
(US9133180, 2)
Show SMILES Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Show InChI InChI=1S/C25H27N5O2/c1-15-4-9-19-18(10-11-27-19)20(15)24-29-21(23(26)31)22(32-24)16-5-7-17(8-6-16)30-13-12-28-25(2,3)14-30/h4-11,27-28H,12-14H2,1-3H3,(H2,26,31)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180862
PNG
(US9133180, 3)
Show SMILES CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(F)c2[nH]ccc12
Show InChI InChI=1S/C24H24FN5O2/c1-24(2)13-30(12-11-28-24)15-5-3-14(4-6-15)21-20(22(26)31)29-23(32-21)17-7-8-18(25)19-16(17)9-10-27-19/h3-10,27-28H,11-13H2,1-2H3,(H2,26,31)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180864
PNG
(US9133180, 5)
Show SMILES COc1ccc(-c2nc(C(N)=O)c(o2)-c2ccc(cc2)N2CCNC(C)(C)C2)c2cc[nH]c12
Show InChI InChI=1S/C25H27N5O3/c1-25(2)14-30(13-12-28-25)16-6-4-15(5-7-16)22-21(23(26)31)29-24(33-22)18-8-9-19(32-3)20-17(18)10-11-27-20/h4-11,27-28H,12-14H2,1-3H3,(H2,26,31)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180863
PNG
(US9133180, 4)
Show SMILES CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(Cl)c2[nH]ccc12
Show InChI InChI=1S/C24H24ClN5O2/c1-24(2)13-30(12-11-28-24)15-5-3-14(4-6-15)21-20(22(26)31)29-23(32-21)17-7-8-18(25)19-16(17)9-10-27-19/h3-10,27-28H,11-13H2,1-2H3,(H2,26,31)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401628
PNG
(CHEMBL2203840)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H]3CCNC3)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H21N9O/c1-21-15-5-17(24-9-14(15)12-7-25-28(2)11-12)26-18-10-23-16(6-20)19(27-18)29-13-3-4-22-8-13/h5,7,9-11,13,22H,3-4,8H2,1-2H3,(H2,21,24,26,27)/t13-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401629
PNG
(CHEMBL2203839)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H21N9O/c1-21-15-5-17(24-9-14(15)12-7-25-28(2)11-12)26-18-10-23-16(6-20)19(27-18)29-13-3-4-22-8-13/h5,7,9-11,13,22H,3-4,8H2,1-2H3,(H2,21,24,26,27)/t13-/m1/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401627
PNG
(CHEMBL2203844)
Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H20N8O2/c1-27-11-12(7-24-27)14-9-23-17(5-16(14)28-2)25-18-10-22-15(6-20)19(26-18)29-13-3-4-21-8-13/h5,7,9-11,13,21H,3-4,8H2,1-2H3,(H,23,25,26)/t13-/m1/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180865
PNG
(US9133180, 6)
Show SMILES Cc1cc(C)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Show InChI InChI=1S/C26H29N5O2/c1-15-13-16(2)21-19(9-10-28-21)20(15)25-30-22(24(27)32)23(33-25)17-5-7-18(8-6-17)31-12-11-29-26(3,4)14-31/h5-10,13,28-29H,11-12,14H2,1-4H3,(H2,27,32)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180870
PNG
(US9133180, 11)
Show SMILES CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C24H25N5O2/c1-24(2)14-29(13-12-27-24)16-8-6-15(7-9-16)21-20(22(25)30)28-23(31-21)18-4-3-5-19-17(18)10-11-26-19/h3-11,26-27H,12-14H2,1-2H3,(H2,25,30)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180860
PNG
(US9133180, 1)
Show SMILES CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1c(F)ccc2[nH]ccc12
Show InChI InChI=1S/C24H24FN5O2/c1-24(2)13-30(12-11-28-24)15-5-3-14(4-6-15)21-20(22(26)31)29-23(32-21)19-16-9-10-27-18(16)8-7-17(19)25/h3-10,27-28H,11-13H2,1-2H3,(H2,26,31)
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SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM180871
PNG
(US9133180, 12)
Show SMILES CC1(C)CN(CCN1)c1ccc(cc1)-c1oc(nc1C(N)=O)-c1ccc(c2[nH]ccc12)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O2/c1-24(2)13-33(12-11-31-24)15-5-3-14(4-6-15)21-20(22(29)34)32-23(35-21)17-7-8-18(25(26,27)28)19-16(17)9-10-30-19/h3-10,30-31H,11-13H2,1-2H3,(H2,29,34)
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n/an/a 2.80n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401632
PNG
(CHEMBL2204590)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C#CC(C)(C)O |r|
Show InChI InChI=1S/C21H27N7O2/c1-14(13-28(5)6)30-20-17(10-22)24-12-19(27-20)26-18-9-16(23-4)15(11-25-18)7-8-21(2,3)29/h9,11-12,14,29H,13H2,1-6H3,(H2,23,25,26,27)/t14-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401617
PNG
(CHEMBL2204592 | US9403797, PAPC-A-02)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H25N9O/c1-13(11-28(3)4)30-20-17(7-21)23-10-19(27-20)26-18-6-16(22-2)15(9-24-18)14-8-25-29(5)12-14/h6,8-10,12-13H,11H2,1-5H3,(H2,22,24,26,27)/t13-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401615
PNG
(CHEMBL2203842)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H23N9O/c1-22-16-6-18(24-9-15(16)13-8-25-29(3)11-13)26-19-10-23-17(7-21)20(27-19)30-14-4-5-28(2)12-14/h6,8-11,14H,4-5,12H2,1-3H3,(H2,22,24,26,27)/t14-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359810
PNG
(CHEMBL1928701)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)
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n/an/a 3.80n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 4.20n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401616
PNG
(CHEMBL2203841)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H23N9O/c1-22-16-6-18(24-9-15(16)13-8-25-29(3)11-13)26-19-10-23-17(7-21)20(27-19)30-14-4-5-28(2)12-14/h6,8-11,14H,4-5,12H2,1-3H3,(H2,22,24,26,27)/t14-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 4.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Anchorage-independent growth of transformed NIH3T3 cells in soft agar


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 5.20n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Anchorage-independent growth of transformed NIH3T3 cells in soft agar


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401623
PNG
(CHEMBL2203848)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1C(=O)OC |r|
Show InChI InChI=1S/C17H19N7O3/c1-19-12-5-14(22-8-11(12)17(25)26-2)23-15-9-21-13(6-18)16(24-15)27-10-3-4-20-7-10/h5,8-10,20H,3-4,7H2,1-2H3,(H2,19,22,23,24)/t10-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177263
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCc3cccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H36BrClN6O2/c33-24-15-23-9-8-22-16-25(34)10-11-27(22)30(29(23)36-19-24)39-13-14-40(32(42)38-26-6-2-1-3-7-26)28(20-39)31(41)37-18-21-5-4-12-35-17-21/h4-5,10-12,15-17,19,26,28,30H,1-3,6-9,13-14,18,20H2,(H,37,41)(H,38,42)
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n/an/a 5.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177231
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CCCCC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H33BrClN5O2/c1-2-3-6-27(38)37-13-12-36(19-26(37)30(39)35-17-20-5-4-11-33-16-20)29-25-10-9-24(32)15-21(25)7-8-22-14-23(31)18-34-28(22)29/h4-5,9-11,14-16,18,26,29H,2-3,6-8,12-13,17,19H2,1H3,(H,35,39)
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n/an/a 5.70n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM180861
PNG
(US9133180, 2)
Show SMILES Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Show InChI InChI=1S/C25H27N5O2/c1-15-4-9-19-18(10-11-27-19)20(15)24-29-21(23(26)31)22(32-24)16-5-7-17(8-6-16)30-13-12-28-25(2,3)14-30/h4-11,27-28H,12-14H2,1-3H3,(H2,26,31)
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n/an/a 5.90n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM180866
PNG
(US9133180, 7)
Show SMILES Cc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(o1)-c1ccc(cc1)N1CCNC(C)(C)C1
Show InChI InChI=1S/C25H26FN5O2/c1-14-12-18(26)20-17(8-9-28-20)19(14)24-30-21(23(27)32)22(33-24)15-4-6-16(7-5-15)31-11-10-29-25(2,3)13-31/h4-9,12,28-29H,10-11,13H2,1-3H3,(H2,27,32)
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n/an/a 5.93n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401614
PNG
(CHEMBL2203843 | US9403797, PAPC-A-01)
Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1
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n/an/a 6n/an/an/an/a7.425



Cancer Research Technology Limited

US Patent


Assay Description
In vitro CHK2 kinase activity was measured in a DELFIA® assay that monitors phosphorylation of a CDC25C peptide using a specific phospho antibody...


US Patent US9403797 (2016)


BindingDB Entry DOI: 10.7270/Q27M06T7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N |r|
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401626
PNG
(CHEMBL2203845)
Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H22N8O2/c1-27-5-4-14(12-27)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-3)15(9-23-18)13-8-24-28(2)11-13/h6,8-11,14H,4-5,12H2,1-3H3,(H,23,25,26)/t14-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177268
PNG
(5-{4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES OC(=O)CCCC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H31BrClN5O4/c31-22-13-21-7-6-20-14-23(32)8-9-24(20)29(28(21)34-17-22)36-11-12-37(26(38)4-1-5-27(39)40)25(18-36)30(41)35-16-19-3-2-10-33-15-19/h2-3,8-10,13-15,17,25,29H,1,4-7,11-12,16,18H2,(H,35,41)(H,39,40)
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n/an/a 7n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401624
PNG
(CHEMBL2203847)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC |r|
Show InChI InChI=1S/C18H23N7O3/c1-11(10-25(3)4)28-17-14(7-19)21-9-16(24-17)23-15-6-13(20-2)12(8-22-15)18(26)27-5/h6,8-9,11H,10H2,1-5H3,(H2,20,22,23,24)/t11-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177258
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCc3cnc[nH]3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C31H37BrClN7O2/c32-22-14-21-7-6-20-15-23(33)8-9-26(20)29(28(21)36-16-22)39-12-13-40(31(42)38-24-4-2-1-3-5-24)27(18-39)30(41)35-11-10-25-17-34-19-37-25/h8-9,14-17,19,24,27,29H,1-7,10-13,18H2,(H,34,37)(H,35,41)(H,38,42)
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n/an/a 7n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359811
PNG
(CHEMBL1928700)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OC1CCCNC1
Show InChI InChI=1S/C19H18N6O/c20-9-16-19(26-15-6-3-7-21-11-15)25-18(12-22-16)24-17-8-13-4-1-2-5-14(13)10-23-17/h1-2,4-5,8,10,12,15,21H,3,6-7,11H2,(H,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177239
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CC(C)CC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H33BrClN5O2/c1-19(2)12-27(38)37-11-10-36(18-26(37)30(39)35-16-20-4-3-9-33-15-20)29-25-8-7-24(32)14-21(25)5-6-22-13-23(31)17-34-28(22)29/h3-4,7-9,13-15,17,19,26,29H,5-6,10-12,16,18H2,1-2H3,(H,35,39)
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n/an/a 7.30n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177265
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Cn1cncc1CCNC(=O)C1CN(CCN1C(=O)NC1CCCCC1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C32H39BrClN7O2/c1-39-20-35-18-26(39)11-12-36-31(42)28-19-40(13-14-41(28)32(43)38-25-5-3-2-4-6-25)30-27-10-9-24(34)16-21(27)7-8-22-15-23(33)17-37-29(22)30/h9-10,15-18,20,25,28,30H,2-8,11-14,19H2,1H3,(H,36,42)(H,38,43)
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Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401614
PNG
(CHEMBL2203843 | US9403797, PAPC-A-01)
Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP


J Med Chem 55: 10229-40 (2012)


Article DOI: 10.1021/jm3012933
BindingDB Entry DOI: 10.7270/Q2N87BZM
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177255
PNG
(6-{4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]c...)
Show SMILES COC(=O)CCCCC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C32H35BrClN5O4/c1-43-29(41)7-3-2-6-28(40)39-14-13-38(20-27(39)32(42)37-18-21-5-4-12-35-17-21)31-26-11-10-25(34)16-22(26)8-9-23-15-24(33)19-36-30(23)31/h4-5,10-12,15-17,19,27,31H,2-3,6-9,13-14,18,20H2,1H3,(H,37,42)
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n/an/a 7.90n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50401617
PNG
(CHEMBL2204592 | US9403797, PAPC-A-02)
Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H25N9O/c1-13(11-28(3)4)30-20-17(7-21)23-10-19(27-20)26-18-6-16(22-2)15(9-24-18)14-8-25-29(5)12-14/h6,8-10,12-13H,11H2,1-5H3,(H2,22,24,26,27)/t13-/m1/s1
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US Patent
n/an/a 8n/an/an/an/a7.425



Cancer Research Technology Limited

US Patent


Assay Description
In vitro CHK2 kinase activity was measured in a DELFIA® assay that monitors phosphorylation of a CDC25C peptide using a specific phospho antibody...


US Patent US9403797 (2016)


BindingDB Entry DOI: 10.7270/Q27M06T7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177267
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CC(=O)CCCCC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C32H35BrClN5O3/c1-21(40)5-2-3-7-29(41)39-14-13-38(20-28(39)32(42)37-18-22-6-4-12-35-17-22)31-27-11-10-26(34)16-23(27)8-9-24-15-25(33)19-36-30(24)31/h4,6,10-12,15-17,19,28,31H,2-3,5,7-9,13-14,18,20H2,1H3,(H,37,42)
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n/an/a 8n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177241
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5-benzo[5,6]cyclo...)
Show SMILES CC(C)CNC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H34BrClN6O2/c1-19(2)14-36-30(40)38-11-10-37(18-26(38)29(39)35-16-20-4-3-9-33-15-20)28-25-8-7-24(32)13-21(25)5-6-22-12-23(31)17-34-27(22)28/h3-4,7-9,12-13,15,17,19,26,28H,5-6,10-11,14,16,18H2,1-2H3,(H,35,39)(H,36,40)
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n/an/a 8n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177257
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CCCCCC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C31H35BrClN5O2/c1-2-3-4-7-28(39)38-14-13-37(20-27(38)31(40)36-18-21-6-5-12-34-17-21)30-26-11-10-25(33)16-22(26)8-9-23-15-24(32)19-35-29(23)30/h5-6,10-12,15-17,19,27,30H,2-4,7-9,13-14,18,20H2,1H3,(H,36,40)
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n/an/a 8n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177250
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES CC(=O)CCCC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C31H33BrClN5O3/c1-20(39)4-2-6-28(40)38-13-12-37(19-27(38)31(41)36-17-21-5-3-11-34-16-21)30-26-10-9-25(33)15-22(26)7-8-23-14-24(32)18-35-29(23)30/h3,5,9-11,14-16,18,27,30H,2,4,6-8,12-13,17,19H2,1H3,(H,36,41)
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n/an/a 8.40n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
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