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Compile Data Set for Download or QSAR

Found 509 hits with Last Name = 'bailey' and Initial = 'c'   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50435737
PNG
(PROBESTIN)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1
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19n/an/an/an/an/an/an/an/a



The University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) using L-leucine-beta-naphthylamide as substrate after 15 mins


Bioorg Med Chem Lett 23: 3561-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.031
BindingDB Entry DOI: 10.7270/Q2P270JB
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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6.00E+3n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Competitive inhibition of DNA-PK (unknown origin) in the presence of ATP


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/a<0.100n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of PI-3K delta (unknown origin)


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/a 0.5n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of PI-3K beta (unknown origin)


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50144342
PNG
(3-((1R,3S)-3-Amino-cyclopentyl)-2-[1-(3,3-dimethyl...)
Show SMILES CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O
Show InChI InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50144333
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(4-methyl-p...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O
Show InChI InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50144342
PNG
(3-((1R,3S)-3-Amino-cyclopentyl)-2-[1-(3,3-dimethyl...)
Show SMILES CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O
Show InChI InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50144336
PNG
(3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(3-methyl-b...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439893
PNG
(CHEMBL2420254)
Show SMILES COC(=O)[C@H](CO)NCCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 |r|
Show InChI InChI=1S/C31H30N2O7S/c1-37-31(36)23(18-34)32-11-14-39-25-10-9-20(30-28(25)22-5-2-3-8-26(22)41-30)19-6-4-7-21-24(35)17-27(40-29(19)21)33-12-15-38-16-13-33/h2-10,17,23,32,34H,11-16,18H2,1H3/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50144337
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439892
PNG
(CHEMBL2420289)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCNc2cccnc2)c2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C32H27N3O4S/c36-26-19-29(35-14-17-37-18-15-35)39-31-22(7-3-8-24(26)31)23-10-11-27(38-16-13-34-21-5-4-12-33-20-21)30-25-6-1-2-9-28(25)40-32(23)30/h1-12,19-20,34H,13-18H2
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n/an/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439946
PNG
(CHEMBL2420287)
Show SMILES CC(=O)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H33N3O5S/c1-22(37)35-13-11-34(12-14-35)15-20-40-28-10-9-24(33-31(28)26-5-2-3-8-29(26)42-33)23-6-4-7-25-27(38)21-30(41-32(23)25)36-16-18-39-19-17-36/h2-10,21H,11-20H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439880
PNG
(CHEMBL2420253)
Show SMILES CC(C)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C34H37N3O4S/c1-23(2)36-14-12-35(13-15-36)16-21-40-29-11-10-25(34-32(29)27-6-3-4-9-30(27)42-34)24-7-5-8-26-28(38)22-31(41-33(24)26)37-17-19-39-20-18-37/h3-11,22-23H,12-21H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50310989
PNG
((5-(2-((2R,6S)-2,6-dimethylmorpholino)-4-morpholin...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+
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KuDOS Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human U87MG cells assessed as phosphorylated S6 ribosomal protein (Ser235/236) level after 2 hrs by Western blotting


Bioorg Med Chem Lett 19: 5950-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.038
BindingDB Entry DOI: 10.7270/Q2GT5NBG
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a 3n/an/an/an/a7.0n/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439957
PNG
(CHEMBL2420255)
Show SMILES CN(CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12)CC(N)=O
Show InChI InChI=1S/C30H29N3O5S/c1-32(18-26(31)35)11-16-37-24-10-9-20(30-28(24)22-5-2-3-8-25(22)39-30)19-6-4-7-21-23(34)17-27(38-29(19)21)33-12-14-36-15-13-33/h2-10,17H,11-16,18H2,1H3,(H2,31,35)
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n/an/a 3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439870
PNG
(CHEMBL2420439)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C33H33N3O5S/c1-20-17-35(18-21(2)40-20)19-29(38)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(37)16-30(41-32(22)24)36-12-14-39-15-13-36/h3-11,16,20-21H,12-15,17-19H2,1-2H3,(H,34,38)/t20-,21+
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n/an/a 4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50144337
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H...)
Show SMILES CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B (CPB)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/a 4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of PI-3K alpha (unknown origin)


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/a 5n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)


Bioorg Med Chem Lett 14: 2141-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.033
BindingDB Entry DOI: 10.7270/Q2N8797S
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439947
PNG
(CHEMBL2420310)
Show SMILES OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O5S/c38-17-14-35-10-12-36(13-11-35)21-29(40)34-26-9-8-23(33-31(26)25-4-1-2-7-28(25)43-33)22-5-3-6-24-27(39)20-30(42-32(22)24)37-15-18-41-19-16-37/h1-9,20,38H,10-19,21H2,(H,34,40)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439862
PNG
(CHEMBL2420444)
Show SMILES CC(=O)N1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H32N4O5S/c1-21(38)36-13-11-35(12-14-36)20-29(40)34-26-10-9-23(33-31(26)25-5-2-3-8-28(25)43-33)22-6-4-7-24-27(39)19-30(42-32(22)24)37-15-17-41-18-16-37/h2-10,19H,11-18,20H2,1H3,(H,34,40)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439863
PNG
(CHEMBL2420285)
Show SMILES CN(C)CCN(C)CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C32H35N3O4S/c1-33(2)13-14-34(3)15-20-38-27-12-11-23(32-30(27)25-7-4-5-10-28(25)40-32)22-8-6-9-24-26(36)21-29(39-31(22)24)35-16-18-37-19-17-35/h4-12,21H,13-20H2,1-3H3
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135936
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-...)
Show SMILES CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439935
PNG
(CHEMBL2420264)
Show SMILES COC(=O)[C@H](CO)NC(=O)COc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 |r|
Show InChI InChI=1S/C31H28N2O8S/c1-38-31(37)22(16-34)32-26(36)17-40-24-10-9-19(30-28(24)21-5-2-3-8-25(21)42-30)18-6-4-7-20-23(35)15-27(41-29(18)20)33-11-13-39-14-12-33/h2-10,15,22,34H,11-14,16-17H2,1H3,(H,32,36)/t22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439937
PNG
(CHEMBL2420426)
Show SMILES OCCN(CCO)CC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C31H31N3O6S/c35-14-10-33(11-15-36)19-27(38)32-24-9-8-21(31-29(24)23-4-1-2-7-26(23)41-31)20-5-3-6-22-25(37)18-28(40-30(20)22)34-12-16-39-17-13-34/h1-9,18,35-36H,10-17,19H2,(H,32,38)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439940
PNG
(CHEMBL2420307)
Show SMILES CC(C)NCC(=O)CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C37H41N5O5S/c1-24(2)38-21-25(43)22-40-12-14-41(15-13-40)23-33(45)39-30-11-10-27(37-35(30)29-6-3-4-9-32(29)48-37)26-7-5-8-28-31(44)20-34(47-36(26)28)42-16-18-46-19-17-42/h3-11,20,24,38H,12-19,21-23H2,1-2H3,(H,39,45)
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n/an/a 6n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439936
PNG
(CHEMBL2420446)
Show SMILES OCCOCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C35H38N4O6S/c40-17-21-44-18-14-37-10-12-38(13-11-37)23-31(42)36-28-9-8-25(35-33(28)27-4-1-2-7-30(27)46-35)24-5-3-6-26-29(41)22-32(45-34(24)26)39-15-19-43-20-16-39/h1-9,22,40H,10-21,23H2,(H,36,42)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439938
PNG
(CHEMBL2420295)
Show SMILES O=C(CCNCCN1CCOCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C34H36N4O5S/c39-28-22-31(38-16-20-42-21-17-38)43-33-23(5-3-6-25(28)33)24-8-9-27(32-26-4-1-2-7-29(26)44-34(24)32)36-30(40)10-11-35-12-13-37-14-18-41-19-15-37/h1-9,22,35H,10-21H2,(H,36,40)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439939
PNG
(CHEMBL2420301)
Show SMILES O=C(CCNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C33H33N5O5S/c39-26-20-29(37-16-18-42-19-17-37)43-31-21(5-3-6-23(26)31)22-8-9-25(30-24-4-1-2-7-27(24)44-32(22)30)36-28(40)10-11-34-12-14-38-15-13-35-33(38)41/h1-9,20,34H,10-19H2,(H,35,41)(H,36,40)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439941
PNG
(CHEMBL2420445)
Show SMILES COCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C34H36N4O5S/c1-41-18-15-36-11-13-37(14-12-36)22-30(40)35-27-10-9-24(34-32(27)26-5-2-3-8-29(26)44-34)23-6-4-7-25-28(39)21-31(43-33(23)25)38-16-19-42-20-17-38/h2-10,21H,11-20,22H2,1H3,(H,35,40)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439931
PNG
(CHEMBL2420281)
Show SMILES CN1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C32H33N3O4S/c1-33-11-13-34(14-12-33)15-20-38-27-10-9-23(32-30(27)25-5-2-3-8-28(25)40-32)22-6-4-7-24-26(36)21-29(39-31(22)24)35-16-18-37-19-17-35/h2-10,21H,11-20H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439927
PNG
(CHEMBL2420284)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCNCCN2CCOCC2)c2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C33H35N3O5S/c37-27-22-30(36-15-20-39-21-16-36)41-32-23(5-3-6-25(27)32)24-8-9-28(31-26-4-1-2-7-29(26)42-33(24)31)40-17-11-34-10-12-35-13-18-38-19-14-35/h1-9,22,34H,10-21H2
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n/an/a 7n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439928
PNG
(CHEMBL2420305)
Show SMILES O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C36H33N5O4S/c42-29-22-33(41-18-20-44-21-19-41)45-35-24(7-5-8-26(29)35)25-11-12-28(34-27-6-1-2-9-30(27)46-36(25)34)38-32(43)23-39-14-16-40(17-15-39)31-10-3-4-13-37-31/h1-13,22H,14-21,23H2,(H,38,43)
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n/an/a 7n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439929
PNG
(CHEMBL2420443)
Show SMILES COCCNCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C30H29N3O5S/c1-36-14-11-31-18-26(35)32-23-10-9-20(30-28(23)22-5-2-3-8-25(22)39-30)19-6-4-7-21-24(34)17-27(38-29(19)21)33-12-15-37-16-13-33/h2-10,17,31H,11-16,18H2,1H3,(H,32,35)
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n/an/a 7n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439932
PNG
(CHEMBL2420296)
Show SMILES O=C(CCNCC1CCCO1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C33H33N3O5S/c37-27-19-30(36-14-17-39-18-15-36)41-32-22(7-3-8-24(27)32)23-10-11-26(31-25-6-1-2-9-28(25)42-33(23)31)35-29(38)12-13-34-20-21-5-4-16-40-21/h1-3,6-11,19,21,34H,4-5,12-18,20H2,(H,35,38)
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n/an/a 7n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439930
PNG
(CHEMBL2420441)
Show SMILES O=C(CNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C32H31N5O5S/c38-25-18-28(36-14-16-41-17-15-36)42-30-20(5-3-6-22(25)30)21-8-9-24(29-23-4-1-2-7-26(23)43-31(21)29)35-27(39)19-33-10-12-37-13-11-34-32(37)40/h1-9,18,33H,10-17,19H2,(H,34,40)(H,35,39)
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n/an/a 7n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439922
PNG
(CHEMBL2420288)
Show SMILES CN(C)CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C29H28N2O4S/c1-30(2)12-17-34-24-11-10-20(29-27(24)22-6-3-4-9-25(22)36-29)19-7-5-8-21-23(32)18-26(35-28(19)21)31-13-15-33-16-14-31/h3-11,18H,12-17H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439919
PNG
(CHEMBL2420279)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCN2CCOCC2)c2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C31H30N2O5S/c34-25-20-28(33-13-17-36-18-14-33)38-30-21(5-3-6-23(25)30)22-8-9-26(37-19-12-32-10-15-35-16-11-32)29-24-4-1-2-7-27(24)39-31(22)29/h1-9,20H,10-19H2
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n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439921
PNG
(CHEMBL2420428)
Show SMILES OCCNCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C29H27N3O5S/c33-13-10-30-17-25(35)31-22-9-8-19(29-27(22)21-4-1-2-7-24(21)38-29)18-5-3-6-20-23(34)16-26(37-28(18)20)32-11-14-36-15-12-32/h1-9,16,30,33H,10-15,17H2,(H,31,35)
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n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439920
PNG
(CHEMBL2420440)
Show SMILES CCN(CC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12)Cc1ccncc1
Show InChI InChI=1S/C35H32N4O4S/c1-2-38(21-23-12-14-36-15-13-23)22-31(41)37-28-11-10-25(35-33(28)27-6-3-4-9-30(27)44-35)24-7-5-8-26-29(40)20-32(43-34(24)26)39-16-18-42-19-17-39/h3-15,20H,2,16-19,21-22H2,1H3,(H,37,41)
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n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439925
PNG
(CHEMBL2420314)
Show SMILES O=C(CNCc1ccncc1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C33H28N4O4S/c38-27-18-30(37-14-16-40-17-15-37)41-32-22(5-3-6-24(27)32)23-8-9-26(31-25-4-1-2-7-28(25)42-33(23)31)36-29(39)20-35-19-21-10-12-34-13-11-21/h1-13,18,35H,14-17,19-20H2,(H,36,39)
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n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439924
PNG
(CHEMBL2420294)
Show SMILES NCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C28H25N3O4S/c29-11-10-24(33)30-21-9-8-18(28-26(21)20-4-1-2-7-23(20)36-28)17-5-3-6-19-22(32)16-25(35-27(17)19)31-12-14-34-15-13-31/h1-9,16H,10-15,29H2,(H,30,33)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439923
PNG
(CHEMBL2420303)
Show SMILES COCCNCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C31H31N3O5S/c1-37-16-13-32-12-11-27(36)33-24-10-9-21(31-29(24)23-5-2-3-8-26(23)40-31)20-6-4-7-22-25(35)19-28(39-30(20)22)34-14-17-38-18-15-34/h2-10,19,32H,11-18H2,1H3,(H,33,36)
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Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50022503
PNG
(CHEMBL3297900)
Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
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n/an/a 8.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
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