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Compile Data Set for Download or QSAR

Found 882 hits with Last Name = 'handing' and Initial = 'k'   
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 isoform alpha


(Homo sapiens (Human))
BDBM625246
PNG
(2-(4-fluorophenyl)-N-[4-(4-oxo-3-phenyl-4,5,6,7-te...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCNC(=O)c3c2-c2ccccc2)cc1
PDB

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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625275
PNG
(2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-4...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629242
PNG
((−)-N-{4-[5-fluoro-6-methyl-3-(pyridin-2-yl)...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccc(F)nc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625179
PNG
(2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-4...)
Show SMILES Cn1ccc2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625180
PNG
(4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5-methyl-4-o...)
Show SMILES Cn1ccc2[nH]c(c(-c3ccccc3)c2c1=O)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629261
PNG
(N-{4-[5-chloro-3-(pyridin-2-yl)-1H-pyrrolo[3,2-b]p...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccc(Cl)nc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629245
PNG
((+)-2-(4-fluorophenyl)-N-{4-[3-(pyridin-2-yl)-1H-p...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1
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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625331
PNG
(N-[4-(5-cyclopropyl-4-oxo-3-phenyl-4,5-dihydro-1H-...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccn(C4CC4)c(=O)c3c2-c2ccccc2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629241
PNG
((+)-2-(4-fluorophenyl)-N-{4-[5-fluoro-3-(pyridin-2...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cc(C)c(F)nc2c1-c1ccccn1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625274
PNG
((+)-2-(4-fluorophenyl)-N-{4-[3-(4-fluorophenyl)-5-...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1
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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629257
PNG
(2-(4-fluorophenyl)-N-{4-[7-(pyridin-2-yl)-5H-pyrro...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3nccnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629252
PNG
(2-(4-fluorophenyl)-N-[4-(3-phenyl-1H-pyrrolo[3,2-b...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2ccccc2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629243
PNG
(2-(4-fluorophenyl)-N-{4-[3-(pyridin-2-yl)-1H-pyrro...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625176
PNG
(4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5-methyl-4-o...)
Show SMILES CN1CCc2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625216
PNG
(N-[4-(7,7-dimethyl-4-oxo-3-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CC1(C)CNC(=O)c2c1[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629280
PNG
(US20230339939, Example 42)
Show SMILES Clc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625266
PNG
(2-(4-fluorophenyl)-N-{4-[3-(4-fluorophenyl)-6,6-di...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)NC(=O)c2c1-c1ccc(F)cc1)c1ccc(F)cc1
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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625175
PNG
(2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-4...)
Show SMILES CN1CCc2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
csnk1d


(Homo sapiens (Human))
BDBM625246
PNG
(2-(4-fluorophenyl)-N-[4-(4-oxo-3-phenyl-4,5,6,7-te...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCNC(=O)c3c2-c2ccccc2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625325
PNG
((Rac)-N-[4-(5-methyl-4-oxo-3-phenyl-4,5,6,7-tetrah...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCN(C)C(=O)c2c1-c1ccccc1)c1ccncc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625254
PNG
(N-[4-(6,6-dimethyl-4-oxo-3-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1ccccc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629258
PNG
(2-(4-fluorophenyl)-N-[4-(7-phenyl-5H-pyrrolo[3,2-c...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccnnc3c2-c2ccccc2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629288
PNG
(N-{4-[5-fluoro-3-(5-fluoropyridin-2-yl)-1H-pyrrolo...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccc(F)nc3c2-c2ccc(F)cn2)cc1
PDB

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Ligand-Target Pair
csnk1d


(Homo sapiens (Human))
BDBM625275
PNG
(2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-4...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccn(C)c(=O)c2c1-c1ccccc1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM636432
PNG
(N-{4-[3-anilino-7-ethyl-4-oxo-4,5,6,7-tetrahydro-1...)
Show SMILES CCC1CNC(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
csnk1d


(Homo sapiens (Human))
BDBM625331
PNG
(N-[4-(5-cyclopropyl-4-oxo-3-phenyl-4,5-dihydro-1H-...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccn(C4CC4)c(=O)c3c2-c2ccccc2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629265
PNG
(N-{4-[5-fluoro-6-methyl-3-(pyridin-2-yl)-1H-pyrrol...)
Show SMILES Cc1cc2[nH]c(c(-c3ccccn3)c2nc1F)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629260
PNG
(N-{4-[7-chloro-3-(pyridin-2-yl)-1H-pyrrolo[3,2-b]p...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(Cl)ccnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625248
PNG
(2-(4-fluorophenyl)-N-[4-(4-oxo-3-phenyl-4,5,6,7-te...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCNC(=O)c2c1-c1ccccc1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625312
PNG
(4-[2-({4-[3-(4-fluorophenyl)-5-methyl-4-oxo-4,5,6,...)
Show SMILES COCCNC(=O)c1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCN(C)C(=O)c3c2-c2ccc(F)cc2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625228
PNG
((+)-2-(4-fluorophenyl)-N-[4-(5′-methyl-4R...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CC3(CCC3)N(C)C(=O)c2c1-c1ccccc1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629251
PNG
((+)-2-(4-fluorophenyl)-N-[4-(3-phenyl-1H-pyrrolo[3...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccc1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629259
PNG
(2-(4-fluorophenyl)-N-{4-[7-(pyridin-2-yl)-5H-pyrro...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3ccnnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629239
PNG
(2-(4-fluorophenyl)-N-{4-[5-fluoro-3-(pyridin-2-yl)...)
Show SMILES CC(C)C(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccccn1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629247
PNG
(2-(4-fluorophenyl)-N-{4-[6-fluoro-3-(pyridin-2-yl)...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cc(F)cnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629268
PNG
(US20230339939, Example 30)
Show SMILES C[C@@H](C(=O)Nc1cc(ccn1)-c1[nH]c2cc(C)c(F)nc2c1-c1ccccn1)c1ccc(F)cc1 |r|
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629286
PNG
((+)-N-{4-[5-fluoro-3-(5-fluoropyridin-2-yl)-1H-pyr...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccc(F)cn1)c1ccc(F)cc1
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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625176
PNG
(4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5-methyl-4-o...)
Show SMILES CN1CCc2[nH]c(c(c2C1=O)-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1
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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625243
PNG
(N-{4-[3-(2,4-difluorophenyl)-5-methyl-4-oxo-4,5,6,...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCN(C)C(=O)c2c1-c1ccc(F)cc1F)c1ccc(F)cc1 |(2.8,-6.22,;3.57,-4.89,;2.8,-3.55,;3.57,-2.22,;1.26,-3.55,;.49,-2.22,;-1.05,-2.22,;-1.82,-.88,;-1.05,.45,;.49,.45,;1.26,-.88,;-3.36,-.88,;-4.26,-2.13,;-5.73,-1.65,;-7.06,-2.42,;-8.4,-1.65,;-8.4,-.11,;-9.73,.66,;-7.06,.66,;-7.06,2.2,;-5.73,-.11,;-4.26,.36,;-3.79,1.83,;-4.82,2.97,;-4.34,4.43,;-2.84,4.75,;-2.36,6.22,;-1.81,3.61,;-2.28,2.15,;-1.25,1,;5.11,-4.89,;5.88,-6.22,;7.42,-6.22,;8.19,-4.89,;9.73,-4.89,;7.42,-3.55,;5.88,-3.55,)|
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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629244
PNG
(2-(4-fluorophenyl)-N-{4-[3-(pyridin-2-yl)-1H-pyrro...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1
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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625220
PNG
(N-[4-(7,7-dimethyl-4-oxo-3-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1-c1ccccc1)C(=O)NCC2(C)C)c1ccc(F)cc1
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More data for this
Ligand-Target Pair
csnk1d


(Homo sapiens (Human))
BDBM625312
PNG
(4-[2-({4-[3-(4-fluorophenyl)-5-methyl-4-oxo-4,5,6,...)
Show SMILES COCCNC(=O)c1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCN(C)C(=O)c3c2-c2ccc(F)cc2)cc1
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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM636473
PNG
(N-{4-[3-anilino-7-(2,2-difluoroethyl)-5-methyl-4-o...)
Show SMILES CN1CC(CC(F)F)c2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM625225
PNG
((+)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5′...)
Show SMILES CN1C(=O)c2c(CC11CCC1)[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
csnk1d


(Homo sapiens (Human))
BDBM625235
PNG
(N-{4-[7-(cyclopropylmethyl)-3-(4-fluorophenyl)-5-m...)
Show SMILES CN1CC(CC2CC2)c2[nH]c(c(c2C1=O)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629253
PNG
(2-(4-fluorophenyl)-N-{4-[3-(3-fluorophenyl)-1H-pyr...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2cccc(F)c2)cc1
PDB

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More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629255
PNG
(N-{4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]p...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cccnc3c2-c2ccc(Cl)s2)cc1
PDB

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


(Homo sapiens (Human))
BDBM625255
PNG
(2-(4-fluorophenyl)-N-{4-[3-(4-fluorophenyl)-6,6-di...)
Show SMILES CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1ccc(F)cc1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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


(Homo sapiens (Human))
BDBM625247
PNG
(2-(4-fluorophenyl)-N-[4-(4-oxo-3-phenyl-4,5-dihydr...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cc[nH]c(=O)c3c2-c2ccccc2)cc1
PDB

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


(Homo sapiens (Human))
BDBM625257
PNG
(2-(4-fluorophenyl)-N-{4-[3-(3-fluorophenyl)-6,6-di...)
Show SMILES CC1(C)Cc2[nH]c(c(c2C(=O)N1)-c1cccc(F)c1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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Ligand-Target Pair
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