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Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'brezezinka' 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))
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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n/an/a 0.739n/an/an/an/an/an/a


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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
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))
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))
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))
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
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))
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))
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))
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))
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
PDB

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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
PDB

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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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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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Ligand-Target Pair
Casein kinase I isoform delta


(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
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629284
PNG
(2-(4-chlorophenyl)-N-{4-[3-(pyridin-2-yl)-1H-pyrro...)
Show SMILES O=C(Cc1ccccc1)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1
PDB

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n/an/a 2.25n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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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n/an/a 2.33n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629270
PNG
(2-(4-fluorophenyl)-N-{4-[5-methoxy-3-(pyridin-2-yl...)
Show SMILES COc1ccc2[nH]c(c(-c3ccccn3)c2n1)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1
PDB

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n/an/a 2.5n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629269
PNG
(2-(4-fluorophenyl)-N-{4-[7-methoxy-3-(pyridin-2-yl...)
Show SMILES COc1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1
PDB

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n/an/a 2.5n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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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n/an/a 2.64n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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))
BDBM629273
PNG
(US20230339939, Example 35)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(ccnc3c2-c2ccccn2)C2CC2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629285
PNG
(4,4-difluoro-N-{4-[5-fluoro-3-(5-fluoropyridin-2-y...)
Show SMILES CC(C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccc(F)cn1)c1ccc(F)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(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))
BDBM629272
PNG
(N-{4-[7-ethyl-3-(pyridin-2-yl)-1H-pyrrolo[3,2-b]py...)
Show SMILES CCc1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1
PDB

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n/an/a 3.08n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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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n/an/a 3.15n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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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n/an/a 3.15n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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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n/an/a 3.18n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629276
PNG
(2-(4-fluorophenyl)-N-{4-[7-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)c1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(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))
BDBM629256
PNG
(2-(4-fluorophenyl)-N-[4-(7-phenyl-5H-pyrrolo[2,3-b...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3nccnc3c2-c2ccccc2)cc1
PDB

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n/an/a 3.33n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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
PDB

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n/an/a 3.37n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM415424
PNG
(N-{4-[5-methyl-4-oxo-3-(phenylamino)-4,5,6,7-tetra...)
Show SMILES CN1CCc2[nH]c(c(Nc3ccccc3)c2C1=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C23H23N5O2/c1-28-12-10-17-19(23(28)30)21(25-16-5-3-2-4-6-16)20(26-17)15-9-11-24-18(13-15)27-22(29)14-7-8-14/h2-6,9,11,13-14,25-26H,7-8,10,12H2,1H3,(H,24,27,29)
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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629277
PNG
(2-(4-fluorophenyl)-N-(4-{7-[methyl(1-methylpiperid...)
Show SMILES CN(C1CCN(C)CC1)c1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1
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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629264
PNG
(US20230339939, Example 26)
Show SMILES CC(C)[C@H](C(=O)Nc1cc(ccn1)-c1[nH]c2ccc(F)nc2c1-c1ccccn1)c1ccc(F)cc1 |r|
PDB

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n/an/a 3.5n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629281
PNG
((2RS)-2-(4-fluorophenyl)-3-methoxy-N-(4-(3-(pyridi...)
Show SMILES COCC(C(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccccn1)c1ccc(F)cc1
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n/an/a 3.51n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629248
PNG
(2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrr...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3cc(F)cnc3c2-c2ccccc2)cc1
PDB

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n/an/a 3.83n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629272
PNG
(N-{4-[7-ethyl-3-(pyridin-2-yl)-1H-pyrrolo[3,2-b]py...)
Show SMILES CCc1ccnc2c(c([nH]c12)-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccccn1
PDB

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n/an/a 3.84n/an/an/an/an/an/a


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


(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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n/an/a 3.96n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(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
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629271
PNG
(N-{4-[7-ethenyl-3-(pyridin-2-yl)-1H-pyrrolo[3,2-b]...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(C=C)ccnc3c2-c2ccccn2)cc1
PDB

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Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM629275
PNG
(N-{4-[7-(cyclopropylmethyl)-5-fluoro-3-(pyridin-2-...)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(CC4CC4)cc(F)nc3c2-c2ccccn2)cc1
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n/an/a 4n/an/an/an/an/an/a


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Ligand-Target Pair
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