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Compile Data Set for Download or QSAR

Found 400 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase RIPK2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50128684
PNG
(CHEMBL3628627)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1
Show InChI InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50128684
PNG
(CHEMBL3628627)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1
Show InChI InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50128687
PNG
(CHEMBL3628628)
Show SMILES COCCNC(=O)c1ccc2n(CCOC)c(nc2c1)-c1cnc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-31-11-9-25-23(30)16-5-8-20-18(13-16)28-22(29(20)10-12-32-2)19-14-26-21(27-19)15-3-6-17(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human receptor-interacting serine-threonine kinase 2 (RIPK2) at 100 uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/a 19n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of RIP2 in the presence of 100uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50095227
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(4-phenoxy-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
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n/an/a 26n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of RIP2 in the presence of 100uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 26n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of RIP2 in the presence of 100uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50015640
PNG
(GALUNISERTIB | LY-2157299)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O
Show InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
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n/an/a 44n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 (unknown origin) by radioisotopic assay


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50015639
PNG
(CHEMBL3260567)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 54n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 (unknown origin) by radioisotopic assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50139604
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1
Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 109n/an/an/an/an/an/a



Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIPK2


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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n/an/a 111n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 (unknown origin) by radioisotopic assay


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 120n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of RIP2 in the presence of 100uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 130n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of RIP2 in the presence of 100uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a>205n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50139604
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1
Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50128687
PNG
(CHEMBL3628628)
Show SMILES COCCNC(=O)c1ccc2n(CCOC)c(nc2c1)-c1cnc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-31-11-9-25-23(30)16-5-8-20-18(13-16)28-22(29(20)10-12-32-2)19-14-26-21(27-19)15-3-6-17(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM93514
PNG
((3Z,5Z)-3,5-bis(3,4-dichlorobenzylidene)-1-(3-morp...)
Show SMILES Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)c(Cl)c3)C2=O)C(=O)CCN2CCOCC2)cc1Cl
Show InChI InChI=1S/C26H24Cl4N2O3/c27-21-3-1-17(13-23(21)29)11-19-15-32(25(33)5-6-31-7-9-35-10-8-31)16-20(26(19)34)12-18-2-4-22(28)24(30)14-18/h1-4,11-14H,5-10,15-16H2/b19-11-,20-12-
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n/an/a>614n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM67266
PNG
(4-chloranyl-1-ethyl-3-nitro-quinolin-2-one | 4-chl...)
Show SMILES CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
Show InChI InChI=1S/C11H9ClN2O3/c1-2-13-8-6-4-3-5-7(8)9(12)10(11(13)15)14(16)17/h3-6H,2H2,1H3
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n/an/a 622n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM50298220
PNG
(2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...)
Show SMILES Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C
Show InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
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PubMed
n/an/a 685n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 (unknown origin) by radioisotopic assay


Citation and Details
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM80083
PNG
(3'-ketospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thio...)
Show SMILES COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC
Show InChI InChI=1S/C16H12O9S5/c1-22-11(17)5-6(12(18)23-2)26-9-10(29-30-15(9)21)16(5)27-7(13(19)24-3)8(28-16)14(20)25-4/h1-4H3
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n/an/a 727n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM88687
PNG
(4-(keto-methyl-oxido-sulfuraniumyl)-3-nitro-benzoi...)
Show InChI InChI=1S/C21H26N2O7S/c1-11(20(24)22-19-15-6-12-5-13(8-15)9-16(19)7-12)30-21(25)14-3-4-18(31(2,28)29)17(10-14)23(26)27/h3-4,10-13,15-16,19H,5-9H2,1-2H3,(H-,22,24,28,29)
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n/an/a 800n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM58440
PNG
(2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-methyl-1,2,...)
Show SMILES CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C12H13N7O2S2/c1-4-18-8(5-7(2)16-18)10-14-15-11(17(10)3)23-12-13-6-9(22-12)19(20)21/h5-6H,4H2,1-3H3
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n/an/a 802n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM41585
PNG
((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Show SMILES CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
Show InChI InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8+
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n/an/a 852n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM68076
PNG
(4,5-bis(chloranyl)-2-[6-(2-methylphenoxy)pyrimidin...)
Show SMILES Cc1ccccc1Oc1cc(ncn1)-n1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C15H10Cl2N4O2/c1-9-4-2-3-5-11(9)23-13-6-12(18-8-19-13)21-15(22)14(17)10(16)7-20-21/h2-8H,1H3
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n/an/a 882n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM41609
PNG
((4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-methylb...)
Show SMILES Cc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C13H10Cl2N2O3/c1-8-2-4-9(5-3-8)13(19)20-7-17-12(18)11(15)10(14)6-16-17/h2-6H,7H2,1H3
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n/an/a 889n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM54804
PNG
(2-[1-[(Z)-1-(4-bromobenzoyl)-2-(2-furyl)vinyl]-2-p...)
Show SMILES Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N
Show InChI InChI=1S/C21H12BrN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
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n/an/a 895n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM46457
PNG
((Z)-4,4-Dimethyl-1-(3-nitro-phenyl)-2-[1,2,4]triaz...)
Show SMILES CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
Show InChI InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8-
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n/an/a 897n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM93528
PNG
((1S,4R,6S,6aR,9R,11bS)-methyl 1-acetoxy-6-hydroxy-...)
Show SMILES COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)C3CC[C@@H]4C[C@@]3([C@@H](O)CC12)C(=O)C4=C
Show InChI InChI=1S/C23H32O6/c1-12-14-6-7-15-22(4)16(10-17(25)23(15,11-14)19(12)26)21(3,20(27)28-5)9-8-18(22)29-13(2)24/h14-18,25H,1,6-11H2,2-5H3/t14-,15?,16?,17+,18+,21-,22+,23-/m1/s1
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n/an/a 917n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM81246
PNG
((3E,5E)-1,1-diketo-3,5-bis(4-nitrobenzylidene)thia...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\CS(=O)(=O)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9-,16-10-
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n/an/a 930n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM60237
PNG
(2-[1-[(Z)-1-(2-furanyl)-3-oxo-3-(4-phenylphenyl)pr...)
Show SMILES O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H17N3O2/c28-18-23(19-29)25-10-4-5-15-30(25)26(17-24-9-6-16-32-24)27(31)22-13-11-21(12-14-22)20-7-2-1-3-8-20/h1-17H/b26-17-
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n/an/a 945n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM34180
PNG
(3-(3,4-dimethoxyphenyl)-1-[(pentafluorophenyl)sulf...)
Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C17H12F5N3O4S/c1-28-9-4-3-7(5-10(9)29-2)8-6-11(23)25(24-8)30(26,27)17-15(21)13(19)12(18)14(20)16(17)22/h3-6H,23H2,1-2H3
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n/an/a 951n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM59054
PNG
(4-[(7-chloranyl-4-nitro-1,3-dihydro-2,1,3-benzoxad...)
Show SMILES [O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H7ClN4O4/c13-8-5-9(14-6-1-3-7(18)4-2-6)12(17(19)20)11-10(8)15-21-16-11/h1-5,14,18H
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n/an/a 969n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM53797
PNG
(2-[1-[(Z)-1-(2-furanyl)-3-oxo-3-phenylprop-1-en-2-...)
Show SMILES O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1
Show InChI InChI=1S/C21H13N3O2/c22-14-17(15-23)19-10-4-5-11-24(19)20(13-18-9-6-12-26-18)21(25)16-7-2-1-3-8-16/h1-13H/b20-13-
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n/an/a 1.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM61664
PNG
(1-anilino-3-(4-chlorophenyl)-1H-pyrrole-2,5-dione ...)
Show SMILES Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O
Show InChI InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-10-15(20)19(16(14)21)18-13-4-2-1-3-5-13/h1-10,18H
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n/an/a 1.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM93512
PNG
(4-keto-1,3-diphenyl-6-(2-pyrrolidinoethylthio)-2-t...)
Show SMILES CCOC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C25H27N3O3S2/c1-2-31-24(30)21-22(29)27(19-11-5-3-6-12-19)25(32)28(20-13-7-4-8-14-20)23(21)33-18-17-26-15-9-10-16-26/h3-8,11-14H,2,9-10,15-18H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM71504
PNG
(1-(5-chlorobenzofurazan-4-yl)sulfonylisonipecotic ...)
Show SMILES CCOC(=O)C1CCN(CC1)S(=O)(=O)c1c(Cl)ccc2nonc12
Show InChI InChI=1S/C14H16ClN3O5S/c1-2-22-14(19)9-5-7-18(8-6-9)24(20,21)13-10(15)3-4-11-12(13)17-23-16-11/h3-4,9H,2,5-8H2,1H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM42532
PNG
(2-[1-[(Z)-1-(4-chlorobenzoyl)-2-(2-furyl)vinyl]-2-...)
Show SMILES Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N
Show InChI InChI=1S/C21H12ClN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
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n/an/a 1.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM71379
PNG
(3,4-bis(chloranyl)-6-phenyl-pyran-2-one | 3,4-dich...)
Show SMILES Clc1cc(oc(=O)c1Cl)-c1ccccc1
Show InChI InChI=1S/C11H6Cl2O2/c12-8-6-9(15-11(14)10(8)13)7-4-2-1-3-5-7/h1-6H
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n/an/a 1.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM68080
PNG
(4,5-bis(bromanyl)-2-(4,6-dimethoxypyrimidin-2-yl)p...)
Show SMILES COc1cc(OC)nc(n1)-n1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C10H8Br2N4O3/c1-18-6-3-7(19-2)15-10(14-6)16-9(17)8(12)5(11)4-13-16/h3-4H,1-2H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM83275
PNG
(MLS002701540 | SMR001565141 | cid_457901)
Show SMILES CC(=O)OCC1(C)CCCC23COC(O)(C(O)C12)C12C(O)C(CCC31)C(=C)C2=O
Show InChI InChI=1S/C22H30O7/c1-11-13-5-6-14-20-8-4-7-19(3,9-28-12(2)23)15(20)18(26)22(27,29-10-20)21(14,16(11)24)17(13)25/h13-15,17-18,25-27H,1,4-10H2,2-3H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES IC(I)=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM80701
PNG
(2-(1,4-diketo-2-naphthyl)-2-methyl-propionaldehyde...)
Show SMILES CC(C)(C=O)C1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12O3/c1-14(2,8-15)11-7-12(16)9-5-3-4-6-10(9)13(11)17/h3-8H,1-2H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM77570
PNG
(3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-prop-2-en...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2CC=C)s1
Show InChI InChI=1S/C8H7N5O3S2/c1-2-3-12-6(14)10-11-7(12)18-8-9-4-5(17-8)13(15)16/h2,4H,1,3H2,(H,10,14)
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n/an/a 1.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM93522
PNG
(2-[4-morpholinyl(phenyl)methylidene]-3H-inden-1-on...)
Show SMILES O=C1C(Cc2ccccc12)=C(N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C20H19NO2/c22-20-17-9-5-4-8-16(17)14-18(20)19(15-6-2-1-3-7-15)21-10-12-23-13-11-21/h1-9H,10-14H2
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n/an/a 1.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM67158
PNG
(9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,...)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C23H26O5/c1-22(2)8-15(26)20-17(10-22)28-18-11-23(3,4)9-16(27)21(18)19(20)13-6-5-12(24)7-14(13)25/h5-7,19,24-25H,8-11H2,1-4H3
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM93505
PNG
(MLS002701772 | SMR001565366 | cid_3795051)
Show SMILES COC(=O)C1(C)CCCC2(C)C3CCC4(O)CC3(CCC12)C(=O)C4=C
Show InChI InChI=1S/C21H30O4/c1-13-16(22)20-10-6-14-18(2,15(20)7-11-21(13,24)12-20)8-5-9-19(14,3)17(23)25-4/h14-15,24H,1,5-12H2,2-4H3
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)


(Homo sapiens (Human))
BDBM60990
PNG
(MLS001336050 | SMR000875330 | Thimerosal | cid_166...)
Show SMILES CC[Hg]Sc1ccccc1C([O-])=O
Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2
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n/an/a 1.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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