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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'eidam' and Initial = 'p'   
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
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384444
PNG
(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384444
PNG
(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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3.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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5.01n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human EP3


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483809
PNG
(CHEMBL1770337)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(C)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O4/c1-12(2)22(20(26)24-21(27)28-22)17-10-13(3)18(23-19(17)25)16-9-8-14-6-4-5-7-15(14)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26,27)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384445
PNG
(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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6.31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483821
PNG
(CHEMBL1770320)
Show SMILES O=C1NC(=O)C(O1)(C1CCCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H22N2O4/c27-21-19(24(18-8-2-1-3-9-18)22(28)26-23(29)30-24)12-13-20(25-21)17-11-10-15-6-4-5-7-16(15)14-17/h4-7,10-14,18H,1-3,8-9H2,(H,25,27)(H,26,28,29)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483823
PNG
(CHEMBL1770341)
Show SMILES CC(C)[C@]1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)/t21-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483814
PNG
(CHEMBL1770319)
Show SMILES O=C1NC(=O)C(O1)(C1CCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O4/c26-20-18(23(17-7-3-4-8-17)21(27)25-22(28)29-23)11-12-19(24-20)16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-13,17H,3-4,7-8H2,(H,24,26)(H,25,27,28)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384445
PNG
(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
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7.94n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384446
PNG
(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
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12.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483827
PNG
(CHEMBL1770322)
Show SMILES O=C1NC(=O)C(Cc2ccccc2)(O1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H18N2O4/c28-22-20(25(23(29)27-24(30)31-25)15-16-6-2-1-3-7-16)12-13-21(26-22)19-11-10-17-8-4-5-9-18(17)14-19/h1-14H,15H2,(H,26,28)(H,27,29,30)
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384446
PNG
(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
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19.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483811
PNG
(CHEMBL1770340)
Show SMILES CC(C)[C@@]1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)/t21-/m1/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483812
PNG
(CHEMBL1770316)
Show SMILES CC1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H14N2O4/c1-19(17(23)21-18(24)25-19)14-8-9-15(20-16(14)22)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,20,22)(H,21,23,24)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483815
PNG
(CHEMBL1770321)
Show SMILES O=C1NC(=O)C(O1)(c1ccccc1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H16N2O4/c27-21-19(24(18-8-2-1-3-9-18)22(28)26-23(29)30-24)12-13-20(25-21)17-11-10-15-6-4-5-7-16(15)14-17/h1-14H,(H,25,27)(H,26,28,29)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483818
PNG
(CHEMBL1770328)
Show SMILES CC1(CNC(=O)N1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O2/c1-19(11-20-18(24)22-19)15-8-9-16(21-17(15)23)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,21,23)(H2,20,22,24)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483808
PNG
(CHEMBL1770336)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(Br)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17BrN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-10-16(22)17(23-18(15)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483829
PNG
(CHEMBL1770335)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(Cl)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17ClN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-10-16(22)17(23-18(15)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483813
PNG
(CHEMBL1770318)
Show SMILES O=C1NC(=O)C(O1)(C1CC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O4/c24-18-16(21(15-7-8-15)19(25)23-20(26)27-21)9-10-17(22-18)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,9-11,15H,7-8H2,(H,22,24)(H,23,25,26)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483822
PNG
(CHEMBL1770329)
Show SMILES CC1(CNC(=O)O1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H16N2O3/c1-19(11-20-18(23)24-19)15-8-9-16(21-17(15)22)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483824
PNG
(CHEMBL1770323)
Show SMILES FC(F)(F)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H11F3N2O4/c20-19(21,22)18(16(26)24-17(27)28-18)13-7-8-14(23-15(13)25)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,23,25)(H,24,26,27)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483816
PNG
(CHEMBL1770324)
Show SMILES O=C1NC(=O)C(O1)(C1CCOCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O5/c26-20-18(23(17-9-11-29-12-10-17)21(27)25-22(28)30-23)7-8-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-8,13,17H,9-12H2,(H,24,26)(H,25,27,28)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50384442
PNG
(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483825
PNG
(CHEMBL1770327)
Show SMILES CC1(NC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15N3O3/c1-19(17(24)21-18(25)22-19)14-8-9-15(20-16(14)23)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,20,23)(H2,21,22,24,25)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(RAT)
BDBM50384442
PNG
(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
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316n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483817
PNG
(CHEMBL1770325)
Show SMILES CN1C(=O)OC(C)(C1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O4/c1-20(18(24)22(2)19(25)26-20)15-9-10-16(21-17(15)23)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3,(H,21,23)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483810
PNG
(CHEMBL1770339)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(c([nH]c1=O)-c1ccc2ccccc2c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O4/c1-11(2)21(19(29)27-20(30)31-21)16-10-15(22(23,24)25)17(26-18(16)28)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,26,28)(H,27,29,30)
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483807
PNG
(CHEMBL1770333)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1c[nH]c(cc1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-11-22-17(10-18(16)24)15-8-7-13-5-3-4-6-14(13)9-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483831
PNG
(CHEMBL1770331)
Show SMILES CC1(OC(=O)NC1=O)c1ccc(cc1O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H15NO4/c1-20(18(23)21-19(24)25-20)16-9-8-15(11-17(16)22)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,22H,1H3,(H,21,23,24)
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483828
PNG
(CHEMBL1770326)
Show SMILES CC(C)N1C(=O)OC(C)(C1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O4/c1-13(2)24-20(26)22(3,28-21(24)27)17-10-11-18(23-19(17)25)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,1-3H3,(H,23,25)
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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483826
PNG
(CHEMBL1770338)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(-c2ccccc2)c([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N2O4/c1-16(2)27(25(31)29-26(32)33-27)22-15-21(18-9-4-3-5-10-18)23(28-24(22)30)20-13-12-17-8-6-7-11-19(17)14-20/h3-16H,1-2H3,(H,28,30)(H,29,31,32)
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483819
PNG
(CHEMBL1770330)
Show SMILES COc1cc(ccc1C1(C)OC(=O)NC1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO4/c1-21(19(23)22-20(24)26-21)17-10-9-16(12-18(17)25-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,23,24)
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3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50384442
PNG
(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
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>5.01E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor in human U2OS cells expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs by FLIPR assay


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483820
PNG
(CHEMBL1770332)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc(nc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O3/c1-13(2)21(19(24)23-20(25)26-21)17-9-10-18(22-12-17)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H,23,24,25)
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<2.51E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50483830
PNG
(CHEMBL1770334)
Show SMILES Cn1c(ccc(c1=O)C1(C)OC(=O)NC1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O4/c1-20(18(24)21-19(25)26-20)15-9-10-16(22(2)17(15)23)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3,(H,21,24,25)
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<2.51E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...


Bioorg Med Chem Lett 21: 2806-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.107
BindingDB Entry DOI: 10.7270/Q2NZ8BGM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50384443
PNG
(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
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>5.01E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor in human U2OS cells expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs by FLIPR assay


ACS Med Chem Lett 1: 316-320 (2010)


Article DOI: 10.1021/ml100077x
BindingDB Entry DOI: 10.7270/Q2BG2Q1F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233227
PNG
(CHEMBL4067372)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O |r|
Show InChI InChI=1S/C21H19N3O4/c1-24-17-9-5-6-10-18(17)27-13-16(21(24)26)23-19(25)20-22-12-15(28-20)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159697
PNG
(CHEMBL3785745)
Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1S/C21H19N3O3S/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)26)22-20(25)16-12-15(27-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1
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n/an/a 0.0630n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233256
PNG
(CHEMBL4093220)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O |r|
Show InChI InChI=1S/C19H18N6O3/c1-24-15-9-5-6-10-16(15)28-12-14(19(24)27)20-18(26)17-21-23-25(22-17)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,20,26)/t14-/m0/s1
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n/an/a 0.0790n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159696
PNG
(CHEMBL3786997)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1S/C22H21N3O3/c1-25-20-10-6-5-9-16(20)11-12-18(22(25)27)23-21(26)19-14-17(28-24-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,26)/t18-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233248
PNG
(CHEMBL4096224)
Show SMILES COC(=O)Nc1ccc2OC[C@H](NC(=O)c3cc(Cc4ccccc4)on3)C(=O)N(C)c2c1 |r|
Show InChI InChI=1S/C23H22N4O6/c1-27-19-11-15(24-23(30)31-2)8-9-20(19)32-13-18(22(27)29)25-21(28)17-12-16(33-26-17)10-14-6-4-3-5-7-14/h3-9,11-12,18H,10,13H2,1-2H3,(H,24,30)(H,25,28)/t18-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233244
PNG
(CHEMBL4068954)
Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1S/C23H22N4O5/c1-14(28)24-16-8-9-21-20(11-16)27(2)23(30)19(13-31-21)25-22(29)18-12-17(32-26-18)10-15-6-4-3-5-7-15/h3-9,11-12,19H,10,13H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50502339
PNG
(CHEMBL4452233)
Show SMILES Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta mRNA overexpression measured at 21 ...


ACS Med Chem Lett 10: 857-862 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50502339
PNG
(CHEMBL4452233)
Show SMILES Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta cytokine overproduction measured at...


ACS Med Chem Lett 10: 857-862 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233255
PNG
(CHEMBL4069318)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O |r|
Show InChI InChI=1S/C21H20N4O3/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)27)23-20(26)16-12-25(14-22-16)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)/t17-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233228
PNG
(CHEMBL4060644)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O |r|
Show InChI InChI=1S/C22H22N4O3/c1-25-19-10-6-7-11-20(19)29-14-18(22(25)28)23-21(27)17-13-16(26(2)24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis at 21 hrs post-st...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
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