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Compile Data Set for Download or QSAR

Found 1459 hits for UniProtKB: P49674   
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
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274527
PNG
(N-(6-(4-(4-fluorophenyl)-1- (1-(2-hydroxyethyl)pip...)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CCO)CC1)-c1ccc(F)cc1)-c1cccnc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
n/an/a 0.0950n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274535
PNG
(N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CCO)CC1)-c1ccc(F)cc1)-c1ccncc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.0960n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274530
PNG
(N-(6-(1-(1-(2-amino-2- oxoethyl)piperidin-4-yl)-4-...)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CC(N)=O)CC1)-c1ccc(F)cc1)-c1cccnc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
n/an/a 0.128n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274525
PNG
(N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1)-c1cccnc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 0.170n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274547
PNG
((S)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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UniChem
Article
n/an/a 0.182n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274455
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- ((5-methyl...)
Show SMILES Cc1cc(CN2CCC(CC2)n2cnc(c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)-c2ccc(F)cc2)no1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.183n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255164
PNG
(US9475817, 123)
Show SMILES Cn1nc(c(c1N1CCN(CC1)C(=O)CN)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N10O2/c1-37-28(39-12-10-38(11-13-39)24(41)15-31)25(26(36-37)17-2-4-19(29)5-3-17)20-6-7-23-33-22(16-40(23)35-20)34-27(42)18-8-9-32-21(30)14-18/h2-9,14,16H,10-13,15,31H2,1H3,(H,34,42)
PDB

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PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274713
PNG
(2-Fluoro-N-(6-(1-(2-fluoroethyl)-4-(4-fluorophenyl...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
n/an/a 0.222n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274439
PNG
((S)-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluor...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
n/an/a 0.225n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274498
PNG
(N-(6-(1-(1-(3,3- difluorocyclobutanecarbonyl)piper...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CC(F)(F)C2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
n/an/a 0.233n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274493
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (5-methyli...)
Show SMILES Cc1oncc1C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.256n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274443
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol- 3-ylmethy...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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UniChem
Article
n/an/a 0.283n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274487
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1 isonicotino...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccncc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.297n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274434
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol-3- ylmethy...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.298n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255199
PNG
(US9475817, 158)
Show SMILES Cn1nc(c(c1C1CCN(C[C@@H](O)C(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1/C30H27F5N8O2/c1-41-28(18-9-12-42(13-10-18)15-22(44)30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-25-37-24(16-43(25)39-21)38-29(45)19-8-11-36-23(32)14-19/h2-8,11,14,16,18,22,44H,9-10,12-13,15H2,1H3,(H,38,45)/t22-/s2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255195
PNG
(US9475817, 154)
Show SMILES Cn1nc(c(c1C1CCN(CC1)C(=O)c1cncs1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25F2N9O2S/c1-40-29(19-9-12-41(13-10-19)31(44)23-15-34-17-45-23)27(28(39-40)18-2-4-21(32)5-3-18)22-6-7-26-36-25(16-42(26)38-22)37-30(43)20-8-11-35-24(33)14-20/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,37,43)
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274469
PNG
((S)-2-fluoro-N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.305n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274525
PNG
(N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1)-c1cccnc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
n/an/a 0.356n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274545
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbony...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.372n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274494
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (3-methyli...)
Show SMILES Cc1nocc1C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.391n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255217
PNG
(US9475817, 176)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C35H31FN10O2S/c1-21-33(49-35(38-21)24-4-3-14-37-18-24)34(47)40-28-20-46-29(39-28)10-9-27(41-46)30-31(22-5-7-25(36)8-6-22)42-44(2)32(30)23-11-15-45(16-12-23)19-26-13-17-48-43-26/h3-10,13-14,17-18,20,23H,11-12,15-16,19H2,1-2H3,(H,40,47)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274663
PNG
(2-fluoro-N-(6-(1-(2-fluoroethyl)-4- (4-fluoropheny...)
Show SMILES FCCn1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.412n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274546
PNG
(N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3-trifluoropro...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CC(F)(F)F)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.424n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274489
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-(methyl...)
Show SMILES CS(=O)(=O)CC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.457n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274513
PNG
(3,3,3-trifluoropropyl 4-(5-(2-(2- fluoroisonicotin...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)OCCC(F)(F)F)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.461n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274532
PNG
(N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3-trifluoropro...)
Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CC1)C(=O)CC(F)(F)F)-c1ccc(F)cc1)-c1cccnc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.484n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274500
PNG
(N-(6-(1-(1-(3- chloropropanoyl)piperidin-4-yl)-4-(...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CCCl)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.493n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274491
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (1-methyl-...)
Show SMILES Cn1ccc(n1)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.545n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274502
PNG
(N-(6-(1-(1-(1H-imidazole-4- carbonyl)piperidin-4-y...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2c[nH]cn2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.559n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274541
PNG
(N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...)
Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.564n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274449
PNG
(N-(6-(1-(1-((1H-imidazol-2- yl)methyl)piperidin-4-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ncc[nH]3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
n/an/a 0.599n/an/an/an/a7.425



Roche Products Limited





J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255204
PNG
(US9475817, 163)
Show SMILES Cn1nc(c(c1C1CCN(CC(N)=O)CC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN10O3/c1-41-32(22-9-12-42(13-10-22)19-26(35)45)30(31(40-41)21-2-4-24(34)5-3-21)25-6-7-28-37-27(20-44(28)39-25)38-33(46)23-8-11-36-29(18-23)43-14-16-47-17-15-43/h2-8,11,18,20,22H,9-10,12-17,19H2,1H3,(H2,35,45)(H,38,46)
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n/an/a 0.600n/an/an/an/a7.425



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US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274503
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (isothiazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccns2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274444
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...)
Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274442
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1- methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274571
PNG
((S)-2-fluoro-N-(6-(4-(4- fluorophenyl)-2-methyl-1-...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C1CCN(C[C@H](O)C(F)(F)F)CC1)-c1ccc(F)cc1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274454
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-morphol...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274460
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (oxazol-2-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ncco3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274501
PNG
(N-(6-(1-(1-(1- cyanocyclopropanecarbonyl)piperidin...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2(CC2)C#N)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274440
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-y...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274594
PNG
(N-(6-(4-(4-fluorophenyl)-1- (2-morpholinoethyl)-1H...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3cccc(c3)-c3cccnc3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274690
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)- 1-(2-(1H-pyrazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCc2cn[nH]c2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274477
PNG
(N-(6-(1-(1-(2-cyanoacetyl)piperidin-4- yl)-4-(4-fl...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C[N+]#[C-])c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274724
PNG
(2-fluoro-N-(6-(4-(4-fluoro-3- methylphenyl)-1-(2-f...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF)-c1ccc(F)c(C)c1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274762
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1c[nH]c(c1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274521
PNG
((S)-2,6-difluoro-N-(6-(4-(4- fluorophenyl)-1-(1-(3...)
Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cc(F)nc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274495
PNG
(2-fluoro-N-(6-(1-(1-(2-fluoro-2- methylpropanoyl)p...)
Show SMILES CC(C)(F)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274854
PNG
(2-Fluoro-N-(6-(4-(4-fluorophenyl)-1-(tetrahydro-2H...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCOCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255210
PNG
(US9475817, 169)
Show SMILES Cn1nc(c(c1C1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28FN9O2/c1-39-30(21-10-15-40(16-11-21)18-24-12-17-43-38-24)28(29(37-39)20-2-4-23(32)5-3-20)25-6-7-27-34-26(19-41(27)36-25)35-31(42)22-8-13-33-14-9-22/h2-9,12-14,17,19,21H,10-11,15-16,18H2,1H3,(H,35,42)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I Epsilon


(Homo sapiens (Human))
BDBM274510
PNG
(US9556179, Compound 80 | oxetan-3-yl 4-(5-(2-(2- f...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)OC2COC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
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J Med Chem 35: 994-1001 (1992)

More data for this
Ligand-Target Pair
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