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Compile Data Set for Download or QSAR

Found 42 hits of ic50 data for polymerid = 50006703   
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
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269687
PNG
(CHEMBL4073178)
Show SMILES COc1cccc(c1)-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H30N6O3/c1-4-12-34-17-23(22-8-11-29-26(22)28(34)36)27(35)32(2)20-9-13-33(14-10-20)25-16-24(30-18-31-25)19-6-5-7-21(15-19)37-3/h4-8,11,15-18,20,29H,1,9-10,12-14H2,2-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269689
PNG
(CHEMBL4075584)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-c1ccccc1F)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C27H27FN6O2/c1-3-12-34-16-21(19-8-11-29-25(19)27(34)36)26(35)32(2)18-9-13-33(14-10-18)24-15-23(30-17-31-24)20-6-4-5-7-22(20)28/h3-8,11,15-18,29H,1,9-10,12-14H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269691
PNG
(CHEMBL4076944)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-c1ccco1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C25H26N6O3/c1-3-10-31-15-19(18-6-9-26-23(18)25(31)33)24(32)29(2)17-7-11-30(12-8-17)22-14-20(27-16-28-22)21-5-4-13-34-21/h3-6,9,13-17,26H,1,7-8,10-12H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269688
PNG
(CHEMBL4077439)
Show SMILES COc1ccccc1-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H30N6O3/c1-4-13-34-17-22(20-9-12-29-26(20)28(34)36)27(35)32(2)19-10-14-33(15-11-19)25-16-23(30-18-31-25)21-7-5-6-8-24(21)37-3/h4-9,12,16-19,29H,1,10-11,13-15H2,2-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269690
PNG
(CHEMBL4104121)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-c1ccccc1C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H30N6O2/c1-4-13-34-17-23(22-9-12-29-26(22)28(34)36)27(35)32(3)20-10-14-33(15-11-20)25-16-24(30-18-31-25)21-8-6-5-7-19(21)2/h4-9,12,16-18,20,29H,1,10-11,13-15H2,2-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50157606
PNG
(CHEMBL3785432)
Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1
Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)
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n/an/a 47n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to CERC2 (unknown origin) by alphascreen assay


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269694
PNG
(CHEMBL4088221)
Show SMILES CN(C1CCN(CC1)c1cc(nc(C)n1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C25H30N6O2/c1-4-11-31-15-20(19-7-10-26-23(19)25(31)33)24(32)29(3)18-8-12-30(13-9-18)22-14-21(17-5-6-17)27-16(2)28-22/h4,7,10,14-15,17-18,26H,1,5-6,8-9,11-13H2,2-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269697
PNG
(CHEMBL4062038)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C(C)(C)C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C25H32N6O2/c1-6-11-31-15-19(18-7-10-26-22(18)24(31)33)23(32)29(5)17-8-12-30(13-9-17)21-14-20(25(2,3)4)27-16-28-21/h6-7,10,14-17,26H,1,8-9,11-13H2,2-5H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269693
PNG
(CHEMBL4062597)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H26N8O2/c1-3-10-31-15-19(18-5-9-25-22(18)24(31)34)23(33)29(2)17-6-12-30(13-7-17)20-14-21(27-16-26-20)32-11-4-8-28-32/h3-5,8-9,11,14-17,25H,1,6-7,10,12-13H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269696
PNG
(CHEMBL4081975)
Show SMILES COc1cc(nc(C)n1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H28N6O3/c1-5-10-29-14-18(17-6-9-24-21(17)23(29)31)22(30)27(3)16-7-11-28(12-8-16)19-13-20(32-4)26-15(2)25-19/h5-6,9,13-14,16,24H,1,7-8,10-12H2,2-4H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269698
PNG
(CHEMBL4093696)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H28N6O2/c1-3-10-30-14-19(18-6-9-25-22(18)24(30)32)23(31)28(2)17-7-11-29(12-8-17)21-13-20(16-4-5-16)26-15-27-21/h3,6,9,13-17,25H,1,4-5,7-8,10-12H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269695
PNG
(CHEMBL4076384)
Show SMILES CN(C1CCN(CC1)c1cc(C)nc(C)n1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H28N6O2/c1-5-10-29-14-19(18-6-9-24-21(18)23(29)31)22(30)27(4)17-7-11-28(12-8-17)20-13-15(2)25-16(3)26-20/h5-6,9,13-14,17,24H,1,7-8,10-12H2,2-4H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269699
PNG
(CHEMBL4076381)
Show SMILES COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H26N6O3/c1-4-9-28-13-17(16-5-8-23-20(16)22(28)30)21(29)26(2)15-6-10-27(11-7-15)18-12-19(31-3)25-14-24-18/h4-5,8,12-15,23H,1,6-7,9-11H2,2-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495431
PNG
(CHEMBL3108800)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269685
PNG
(CHEMBL4077529)
Show SMILES C[C@H](N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]c(C)cc12)c1ccccc1
Show InChI InChI=1/C26H32N4O2/c1-5-13-30-17-23(22-16-18(2)27-24(22)26(30)32)25(31)28(4)21-11-14-29(15-12-21)19(3)20-9-7-6-8-10-20/h5-10,16-17,19,21,27H,1,11-15H2,2-4H3/t19-/s2
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269700
PNG
(CHEMBL4068293)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C(F)(F)F)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-31-12-16(15-4-7-26-19(15)21(31)33)20(32)29(2)14-5-9-30(10-6-14)18-11-17(22(23,24)25)27-13-28-18/h3-4,7,11-14,26H,1,5-6,8-10H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269701
PNG
(CHEMBL4078864)
Show SMILES C[C@@H](N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]c(C)cc12)c1ccccc1
Show InChI InChI=1/C26H32N4O2/c1-5-13-30-17-23(22-16-18(2)27-24(22)26(30)32)25(31)28(4)21-11-14-29(15-12-21)19(3)20-9-7-6-8-10-20/h5-10,16-17,19,21,27H,1,11-15H2,2-4H3/t19-/s2
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269686
PNG
(CHEMBL4077036)
Show SMILES CN(C1CCN(CC1)c1ccncn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H24N6O2/c1-3-10-27-13-17(16-4-9-23-19(16)21(27)29)20(28)25(2)15-6-11-26(12-7-15)18-5-8-22-14-24-18/h3-5,8-9,13-15,23H,1,6-7,10-12H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269704
PNG
(CHEMBL4061800)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H28N4O2/c1-16(17-7-5-4-6-8-17)27-13-10-18(11-14-27)26(3)22(28)20-15-25(2)23(29)21-19(20)9-12-24-21/h4-9,12,15-16,18,24H,10-11,13-14H2,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269703
PNG
(CHEMBL4089866)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269702
PNG
(CHEMBL4061901)
Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269706
PNG
(CHEMBL4088418)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C16H22N4O2/c1-18-8-5-11(6-9-18)20(3)15(21)13-10-19(2)16(22)14-12(13)4-7-17-14/h4,7,10-11,17H,5-6,8-9H2,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495425
PNG
(CHEMBL3110353)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C28H29N7O3S/c1-19-29-30-28-24-7-5-4-6-23(24)27(31-35(19)28)20-8-13-26(34-16-14-33(2)15-17-34)25(18-20)32-39(36,37)22-11-9-21(38-3)10-12-22/h4-13,18,32H,14-17H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269705
PNG
(CHEMBL4102588)
Show SMILES CN1CCC(CC1)NC(=O)c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C15H20N4O2/c1-18-7-4-10(5-8-18)17-14(20)12-9-19(2)15(21)13-11(12)3-6-16-13/h3,6,9-10,16H,4-5,7-8H2,1-2H3,(H,17,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495427
PNG
(CHEMBL1513201)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495432
PNG
(CHEMBL3108806)
Show SMILES CCC(=O)Nc1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C20H19N5O/c1-4-18(26)21-17-11-14(10-9-12(17)2)19-15-7-5-6-8-16(15)20-23-22-13(3)25(20)24-19/h5-11H,4H2,1-3H3,(H,21,26)
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1
Show InChI InChI=1/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/s2
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n/an/a 7.70E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1
Show InChI InChI=1/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/s2
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n/an/a 7.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CECR2 measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50249797
PNG
(CHEMBL4059509)
Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3
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University College London

Curated by ChEMBL


Assay Description
Inhibition of human His tagged CECR2 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b...


J Med Chem 60: 668-680 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50200384
PNG
(CHEMBL3968533 | US9763922, Example 299)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1
Show InChI InChI=1/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/s2
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50250880
PNG
(CHEMBL4068116)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1
Show InChI InChI=1/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CECR2 measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495426
PNG
(CHEMBL3108801)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)

More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/s2
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n/an/a<3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50249797
PNG
(CHEMBL4059509)
Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3
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University College London

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)

More data for this
Ligand-Target Pair