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Compile Data Set for Download or QSAR

Found 516 hits with Last Name = 'salowe' and Initial = 'sp'   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301603
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34)/t20-,26-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301619
PNG
((S)-3-((S)-1-(4-(5-(2-aminopyrimidin-4-yl)-1H-benz...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccnc(N)n1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C33H33N11O/c1-21(29-19-43(17-16-42(29)2)33(45)40-26-9-5-7-22-6-3-4-8-24(22)26)38-32-36-15-13-30(41-32)44-20-37-27-18-23(10-11-28(27)44)25-12-14-35-31(34)39-25/h3-15,18,20-21,29H,16-17,19H2,1-2H3,(H,40,45)(H2,34,35,39)(H,36,38,41)/t21-,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301604
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES CCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C30H32N8O/c1-3-36-17-18-37(30(39)34-24-13-8-10-22-9-4-5-11-23(22)24)19-27(36)21(2)33-29-31-16-15-28(35-29)38-20-32-25-12-6-7-14-26(25)38/h4-16,20-21,27H,3,17-19H2,1-2H3,(H,34,39)(H,31,33,35)/t21-,27-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301624
PNG
((S)-4-methyl-N(S)-4-methyl-N-(naphthalen-1-yl)-3-(...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccncc1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C34H33N9O/c1-23(31-21-42(19-18-41(31)2)34(44)39-28-9-5-7-25-6-3-4-8-27(25)28)38-33-36-17-14-32(40-33)43-22-37-29-20-26(10-11-30(29)43)24-12-15-35-16-13-24/h3-17,20,22-23,31H,18-19,21H2,1-2H3,(H,39,44)(H,36,38,40)/t23-,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301607
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1c1ccncc1)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C33H31N9O/c1-23(37-32-35-18-15-31(39-32)42-22-36-28-10-4-5-12-29(28)42)30-21-40(19-20-41(30)25-13-16-34-17-14-25)33(43)38-27-11-6-8-24-7-2-3-9-26(24)27/h2-18,22-23,30H,19-21H2,1H3,(H,38,43)(H,35,37,39)/t23-,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301605
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES CC(C)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H36N8O/c1-22(2)19-38-17-18-39(32(41)36-26-13-8-10-24-9-4-5-11-25(24)26)20-29(38)23(3)35-31-33-16-15-30(37-31)40-21-34-27-12-6-7-14-28(27)40/h4-16,21-23,29H,17-20H2,1-3H3,(H,36,41)(H,33,35,37)/t23-,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385830
PNG
(CHEMBL2041185)
Show SMILES COc1nccnc1N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)20-37-17-12-33(13-18-37)31(42)38(32(43)39(33)28-29(44-3)36-16-15-35-28)25-9-6-23(7-10-25)26-11-8-24(30(40)41)19-22(26)2/h4-11,14-16,19H,12-13,17-18,20H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385798
PNG
(CHEMBL2041184)
Show SMILES Cc1nccc(n1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-15-35-28(21)20-37-17-13-33(14-18-37)31(42)38(32(43)39(33)29-12-16-34-23(3)36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)19-22(27)2/h4-12,15-16,19H,13-14,17-18,20H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385819
PNG
(CHEMBL2043325)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)28-18-29(44-3)36-20-35-28)25-9-6-23(7-10-25)26-11-8-24(30(40)41)17-22(26)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385782
PNG
(CHEMBL2041169)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C33H30N8O3/c1-22-3-2-15-34-28(22)20-39-17-13-33(14-18-39)31(43)40(32(44)41(33)29-19-30(42)36-21-35-29)26-10-8-24(9-11-26)23-4-6-25(7-5-23)27-12-16-37-38-27/h2-12,15-16,19,21H,13-14,17-18,20H2,1H3,(H,37,38)(H,35,36,42)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385814
PNG
(CHEMBL2043169)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H30N6O5/c1-21-5-4-14-33-26(21)19-36-15-12-32(13-16-36)30(41)37(31(42)38(32)27-18-28(43-2)35-20-34-27)25-10-8-22(9-11-25)23-6-3-7-24(17-23)29(39)40/h3-11,14,17-18,20H,12-13,15-16,19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385803
PNG
(CHEMBL2041190)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-13-34-27(21)20-36-16-11-32(12-17-36)30(41)37(31(42)38(32)28-19-33-14-15-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-10,13-15,18-19H,11-12,16-17,20H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385819
PNG
(CHEMBL2043325)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)28-18-29(44-3)36-20-35-28)25-9-6-23(7-10-25)26-11-8-24(30(40)41)17-22(26)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385782
PNG
(CHEMBL2041169)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C33H30N8O3/c1-22-3-2-15-34-28(22)20-39-17-13-33(14-18-39)31(43)40(32(44)41(33)29-19-30(42)36-21-35-29)26-10-8-24(9-11-26)23-4-6-25(7-5-23)27-12-16-37-38-27/h2-12,15-16,19,21H,13-14,17-18,20H2,1H3,(H,37,38)(H,35,36,42)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385788
PNG
(CHEMBL2041175)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11-14-36)29(40)37(30(41)38(31)27-16-28(39)34-18-33-27)23-7-4-21(5-8-23)22-6-9-26-24(15-22)35-19-42-26/h2-9,12,15-16,18-19H,10-11,13-14,17H2,1H3,(H,33,34,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385796
PNG
(CHEMBL2041182)
Show SMILES Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-34-28(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)29-18-23(3)35-20-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)17-22(27)2/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385830
PNG
(CHEMBL2041185)
Show SMILES COc1nccnc1N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)20-37-17-12-33(13-18-37)31(42)38(32(43)39(33)28-29(44-3)36-16-15-35-28)25-9-6-23(7-10-25)26-11-8-24(30(40)41)19-22(26)2/h4-11,14-16,19H,12-13,17-18,20H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385799
PNG
(CHEMBL2041186)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1nccnc1C
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-35-28(21)20-37-17-12-33(13-18-37)31(42)38(32(43)39(33)29-23(3)34-15-16-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)19-22(27)2/h4-11,14-16,19H,12-13,17-18,20H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385803
PNG
(CHEMBL2041190)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-13-34-27(21)20-36-16-11-32(12-17-36)30(41)37(31(42)38(32)28-19-33-14-15-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-10,13-15,18-19H,11-12,16-17,20H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385805
PNG
(CHEMBL2041192)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccncn1
Show InChI InChI=1S/C31H28N6O4/c1-21-3-2-15-33-26(21)19-35-17-13-31(14-18-35)29(40)36(30(41)37(31)27-12-16-32-20-34-27)25-10-8-23(9-11-25)22-4-6-24(7-5-22)28(38)39/h2-12,15-16,20H,13-14,17-19H2,1H3,(H,38,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301594
PNG
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)
Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385820
PNG
(CHEMBL2043326)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)28-18-29(44-3)36-20-35-28)25-9-6-23(7-10-25)24-8-11-26(30(40)41)22(2)17-24/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385791
PNG
(CHEMBL2041178)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)N1C(=O)N(c2cc(OC)ncn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C33H33N7O4/c1-22-5-4-16-35-27(22)20-38-17-14-33(15-18-38)31(42)39(32(43)40(33)28-19-29(44-3)37-21-36-28)26-12-10-24(11-13-26)23-6-8-25(9-7-23)30(41)34-2/h4-13,16,19,21H,14-15,17-18,20H2,1-3H3,(H,34,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385826
PNG
(CHEMBL2041010)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(s1)C(O)=O
Show InChI InChI=1S/C30H28N6O5S/c1-19-4-3-13-31-22(19)17-34-14-11-30(12-15-34)28(39)35(29(40)36(30)25-16-26(41-2)33-18-32-25)21-7-5-20(6-8-21)23-9-10-24(42-23)27(37)38/h3-10,13,16,18H,11-12,14-15,17H2,1-2H3,(H,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385798
PNG
(CHEMBL2041184)
Show SMILES Cc1nccc(n1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-15-35-28(21)20-37-17-13-33(14-18-37)31(42)38(32(43)39(33)29-12-16-34-23(3)36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)19-22(27)2/h4-12,15-16,19H,13-14,17-18,20H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385799
PNG
(CHEMBL2041186)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1nccnc1C
Show InChI InChI=1S/C33H32N6O4/c1-21-5-4-14-35-28(21)20-37-17-12-33(13-18-37)31(42)38(32(43)39(33)29-23(3)34-15-16-36-29)26-9-6-24(7-10-26)27-11-8-25(30(40)41)19-22(27)2/h4-11,14-16,19H,12-13,17-18,20H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385801
PNG
(CHEMBL2041188)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ncccn1
Show InChI InChI=1S/C32H30N6O4/c1-21-5-3-14-33-27(21)20-36-17-12-32(13-18-36)29(41)37(31(42)38(32)30-34-15-4-16-35-30)25-9-6-23(7-10-25)26-11-8-24(28(39)40)19-22(26)2/h3-11,14-16,19H,12-13,17-18,20H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385805
PNG
(CHEMBL2041192)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccncn1
Show InChI InChI=1S/C31H28N6O4/c1-21-3-2-15-33-26(21)19-35-17-13-31(14-18-35)29(40)36(30(41)37(31)27-12-16-32-20-34-27)25-10-8-23(9-11-25)22-4-6-24(7-5-22)28(38)39/h2-12,15-16,20H,13-14,17-19H2,1H3,(H,38,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385813
PNG
(CHEMBL2043168)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H30N6O5/c1-21-4-3-15-33-26(21)19-36-16-13-32(14-17-36)30(41)37(31(42)38(32)27-18-28(43-2)35-20-34-27)25-11-9-23(10-12-25)22-5-7-24(8-6-22)29(39)40/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301588
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@H]1CCCN(C1)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H29N7O/c1-20(32-28-30-16-15-27(34-28)36-19-31-25-12-4-5-14-26(25)36)22-10-7-17-35(18-22)29(37)33-24-13-6-9-21-8-2-3-11-23(21)24/h2-6,8-9,11-16,19-20,22H,7,10,17-18H2,1H3,(H,33,37)(H,30,32,34)/t20-,22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385802
PNG
(CHEMBL2041189)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cnccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-3-2-14-33-26(21)20-35-17-12-31(13-18-35)29(40)36(30(41)37(31)27-19-32-15-16-34-27)25-10-8-23(9-11-25)22-4-6-24(7-5-22)28(38)39/h2-11,14-16,19H,12-13,17-18,20H2,1H3,(H,38,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385801
PNG
(CHEMBL2041188)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ncccn1
Show InChI InChI=1S/C32H30N6O4/c1-21-5-3-14-33-27(21)20-36-17-12-32(13-18-36)29(41)37(31(42)38(32)30-34-15-4-16-35-30)25-9-6-23(7-10-25)26-11-8-24(28(39)40)19-22(26)2/h3-11,14-16,19H,12-13,17-18,20H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385818
PNG
(CHEMBL2043324)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C32H29FN6O5/c1-20-4-3-13-34-26(20)18-37-14-11-32(12-15-37)30(42)38(31(43)39(32)27-17-28(44-2)36-19-35-27)23-8-5-21(6-9-23)24-10-7-22(29(40)41)16-25(24)33/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385814
PNG
(CHEMBL2043169)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H30N6O5/c1-21-5-4-14-33-26(21)19-36-15-12-32(13-16-36)30(41)37(31(42)38(32)27-18-28(43-2)35-20-34-27)25-10-8-22(9-11-25)23-6-3-7-24(17-23)29(39)40/h3-11,14,17-18,20H,12-13,15-16,19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385813
PNG
(CHEMBL2043168)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H30N6O5/c1-21-4-3-15-33-26(21)19-36-16-13-32(14-17-36)30(41)37(31(42)38(32)27-18-28(43-2)35-20-34-27)25-11-9-23(10-12-25)22-5-7-24(8-6-22)29(39)40/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385802
PNG
(CHEMBL2041189)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cnccn1
Show InChI InChI=1S/C31H28N6O4/c1-21-3-2-14-33-26(21)20-35-17-12-31(13-18-35)29(40)36(30(41)37(31)27-19-32-15-16-34-27)25-10-8-23(9-11-25)22-4-6-24(7-5-22)28(38)39/h2-11,14-16,19H,12-13,17-18,20H2,1H3,(H,38,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385797
PNG
(CHEMBL2041183)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cc(ncn1)C(F)(F)F
Show InChI InChI=1S/C33H29F3N6O4/c1-20-4-3-13-37-26(20)18-40-14-11-32(12-15-40)30(45)41(31(46)42(32)28-17-27(33(34,35)36)38-19-39-28)24-8-5-22(6-9-24)25-10-7-23(29(43)44)16-21(25)2/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,43,44)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385825
PNG
(CHEMBL2040897)
Show SMILES Cc1nc(C)c(s1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C29H29N7O3S/c1-18-5-4-12-30-23(18)16-34-13-10-29(11-14-34)27(38)35(28(39)36(29)24-15-25(37)32-17-31-24)22-8-6-21(7-9-22)26-19(2)33-20(3)40-26/h4-9,12,15,17H,10-11,13-14,16H2,1-3H3,(H,31,32,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385818
PNG
(CHEMBL2043324)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C32H29FN6O5/c1-20-4-3-13-34-26(20)18-37-14-11-32(12-15-37)30(42)38(31(43)39(32)27-17-28(44-2)36-19-35-27)23-8-5-21(6-9-23)24-10-7-22(29(40)41)16-25(24)33/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385811
PNG
(CHEMBL2043010)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H30N6O5/c1-21-7-6-15-33-26(21)19-36-16-14-32(25(18-36)29(39)40)30(41)37(31(42)38(32)27-17-28(43-2)35-20-34-27)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-13,15,17,20,25H,14,16,18-19H2,1-2H3,(H,39,40)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301618
PNG
((S)-3-((S)-1-(4-(5-(3-ethyl-2-oxoimidazolidin-1-yl...)
Show SMILES CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)[C@@H]2CN(CCN2C)C(=O)Nc2cccc3ccccc23)n1 |r|
Show InChI InChI=1S/C34H38N10O2/c1-4-41-18-19-43(34(41)46)25-12-13-29-28(20-25)36-22-44(29)31-14-15-35-32(39-31)37-23(2)30-21-42(17-16-40(30)3)33(45)38-27-11-7-9-24-8-5-6-10-26(24)27/h5-15,20,22-23,30H,4,16-19,21H2,1-3H3,(H,38,45)(H,35,37,39)/t23-,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301608
PNG
(CHEMBL566507 | ethyl 2-((S)-2-((S)-1-(4-(1H-benzo[...)
Show SMILES CCOC(=O)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H34N8O3/c1-3-43-30(41)20-38-17-18-39(32(42)36-25-13-8-10-23-9-4-5-11-24(23)25)19-28(38)22(2)35-31-33-16-15-29(37-31)40-21-34-26-12-6-7-14-27(26)40/h4-16,21-22,28H,3,17-20H2,1-2H3,(H,36,42)(H,33,35,37)/t22-,28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385820
PNG
(CHEMBL2043326)
Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)19-37-15-12-33(13-16-37)31(42)38(32(43)39(33)28-18-29(44-3)36-20-35-28)25-9-6-23(7-10-25)24-8-11-26(30(40)41)22(2)17-24/h4-11,14,17-18,20H,12-13,15-16,19H2,1-3H3,(H,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385797
PNG
(CHEMBL2041183)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cc(ncn1)C(F)(F)F
Show InChI InChI=1S/C33H29F3N6O4/c1-20-4-3-13-37-26(20)18-40-14-11-32(12-15-40)30(45)41(31(46)42(32)28-17-27(33(34,35)36)38-19-39-28)24-8-5-22(6-9-24)25-10-7-23(29(43)44)16-21(25)2/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,43,44)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50385791
PNG
(CHEMBL2041178)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)N1C(=O)N(c2cc(OC)ncn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
Show InChI InChI=1S/C33H33N7O4/c1-22-5-4-16-35-27(22)20-38-17-14-33(15-18-38)31(42)39(32(43)40(33)28-19-29(44-3)37-21-36-28)26-12-10-24(11-13-26)23-6-8-25(9-7-23)30(41)34-2/h4-13,16,19,21H,14-15,17-18,20H2,1-3H3,(H,34,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50385795
PNG
(CHEMBL2040854)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cc(=O)[nH]cn1
Show InChI InChI=1S/C31H29N7O5/c1-19-4-3-11-32-25(19)17-36-12-9-31(10-13-36)29(42)37(30(43)38(31)26-15-27(39)35-18-34-26)22-6-8-24(33-16-22)23-7-5-21(28(40)41)14-20(23)2/h3-8,11,14-16,18H,9-10,12-13,17H2,1-2H3,(H,40,41)(H,34,35,39)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PHD1


J Med Chem 55: 2945-59 (2012)


Article DOI: 10.1021/jm201542d
BindingDB Entry DOI: 10.7270/Q27945QW
More data for this
Ligand-Target Pair
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