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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Cat eye syndrome critical region protein 2' 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
Cat eye syndrome critical region protein 2


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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794n/an/an/an/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to CECR2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)

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


(Homo sapiens)
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)

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


(Homo sapiens)
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)

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


(Homo sapiens)
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 R&D

Curated by ChEMBL


Assay Description
Inhibition of human CECR2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)

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


(Homo sapiens)
BDBM50183448
PNG
(CHEMBL3823478)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/an/a 187n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method


J Med Chem 59: 4462-75 (2016)

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


(Homo sapiens)
BDBM50183449
PNG
(CHEMBL3823101)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/an/a 200n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method


J Med Chem 59: 4462-75 (2016)

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


(Homo sapiens)
BDBM50183448
PNG
(CHEMBL3823478)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/an/a 8.80n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by BROMOScan analysis


J Med Chem 59: 4462-75 (2016)

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


(Homo sapiens)
BDBM50183449
PNG
(CHEMBL3823101)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/an/a 77n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by BROMOScan analysis


J Med Chem 59: 4462-75 (2016)

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


(Homo sapiens)
BDBM50078633
PNG
(CHEMBL3415187)
Show SMILES Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C19H17N7/c1-24-10-15(8-22-24)11-26-13-21-18(17-9-23-25(2)12-17)19(26)16-5-3-14(7-20)4-6-16/h3-6,8-10,12-13H,11H2,1-2H3
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n/an/an/a 1.55E+3n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CECR2 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 2553-9 (2015)

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


(Homo sapiens)
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/an/a 80n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to CERC2 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)

More data for this
Ligand-Target Pair