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Compile Data Set for Download or QSAR

Found 2612 hits with Last Name = 'wittman' and Initial = 'md'   
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
Insulin-like growth factor 1 receptor


(Rattus norvegicus)
BDBM50318112
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES COCCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-10-8-34(9-11-35)12-13-38-2)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)37)31-17-24(36)19-4-3-5-20(29)15-19/h3-7,14-16,24,36H,8-13,17H2,1-2H3,(H,32,33)(H2,30,31,37)/t24-/m1/s1
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MMDB

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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of rat IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Casein kinase I delta/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
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n/an/a 0.0340n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274578
PNG
(2-fluoro-N-(6-(4-(4- fluorophenyl)-1-(1- (2-hydrox...)
Show SMILES OCCN1CC(C1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274432
PNG
(N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1
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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274471
PNG
(N-(6-(1-(1-(2-aminoacetyl)piperidin-4- yl)-4-(4-fl...)
Show SMILES NCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
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

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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274618
PNG
(N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-y...)
Show SMILES CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc2ccccn12)-c1ccc(F)cc1
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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
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

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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM255158
PNG
(US9475817, 117)
Show SMILES Cn1nc(c(c1N1CCN(CCO)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27F2N9O2/c1-36-28(38-12-10-37(11-13-38)14-15-40)25(26(35-36)18-2-4-20(29)5-3-18)21-6-7-24-32-23(17-39(24)34-21)33-27(41)19-8-9-31-22(30)16-19/h2-9,16-17,40H,10-15H2,1H3,(H,33,41)
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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...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(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)
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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...


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274886
PNG
(2-Fluoro-N-(6-(2-(4-fluorophenyl)-7-pivaloyl- 5,6,...)
Show SMILES CC(C)(C)C(=O)N1CCn2c(C1)nc(c2-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274453
PNG
(N-(6-(1-(1-((1,3-dimethyl-1H-pyrazol-4- yl)methyl)...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3c[nH]cn3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274718
PNG
(N-(6-(4-(4-chlorophenyl)-1-(2- fluoroethyl)-2-meth...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF)-c1ccc(Cl)cc1
PDB

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n/an/a 0.109n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274595
PNG
(N-(6-(4-(4-fluorophenyl)-1- (2-morpholinoethyl)-1H...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1
PDB

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274619
PNG
(2-(dimethylamino)-N-(6-(2-(4- fluorophenyl)imidazo...)
Show SMILES CN(C)c1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc2ccccn12)-c1ccc(F)cc1
PDB

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n/an/a 0.111n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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 |r|
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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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n/an/a 0.116n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274720
PNG
(N-(6-(4-(4-chlorophenyl)-2-methyl- 1-(2,2,2-triflu...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)(F)F)-c1ccc(Cl)cc1
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274472
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...)
Show SMILES OCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
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

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274465
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-methoxy...)
Show SMILES COCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274519
PNG
(N-(6-(1-(1-(2-amino-2- oxoethyl)piperidin-4-yl)-4-...)
Show SMILES NC(=O)CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cc(F)nc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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
PDB

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n/an/a 0.147n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274745
PNG
(6-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(F)nc4)cn3n2)n1C)-c1ccc(F)cc1
PDB

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n/an/a 0.152n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274544
PNG
(N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoroprop...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCC(F)(F)F)CC2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1
PDB

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n/an/a 0.159n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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n/an/a 0.165n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274704
PNG
(N-(6-(4-(4-fluorophenyl)-1-(furan-3- ylmethyl)-1H-...)
Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1Cc1ccoc1)-c1ccc(F)cc1
PDB

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n/an/a 0.169n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
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

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274452
PNG
(N-(6-(1-(1-((1H-pyrazol-5- yl)methyl)piperidin-4-y...)
Show SMILES Cc1nn(C)cc1CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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
PDB

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274486
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...)
Show SMILES CC(C)(O)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274514
PNG
(US9556179, Compound 84 | methyl 4-(5-(2-(2- fluoro...)
Show SMILES COC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
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 |r|
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
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

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274492
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-morphol...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CN2CCOCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/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
PDB

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274763
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5cnccc5c4)cn3n2)n1C)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

US Patent




US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM274484
PNG
(2-fluoro-N-(6-(1-(1-(4- fluorobenzoyl)piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
PDB

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Bristol-Myers Squibb Company

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US Patent US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
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