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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'mccarver' and Initial = 's'   
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 delta


(Homo sapiens (Human))
BDBM629099
PNG
(3-Chloro-4-[3-(5-fluoro-2-pyridyl)-1-methyl-pyrazo...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]cc(Cl)c12
PDB

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n/an/a 17n/an/an/an/an/an/a


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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629098
PNG
(3-Bromo-4-[3-(5-fluoro-2-pyridyl)-1-methyl-pyrazol...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]cc(Br)c12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629074
PNG
(4-(3-(5-Fluoropyridin-2-yl)-1,5-dimethyl-1H-pyrazo...)
Show SMILES Cc1c(c(nn1C)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12 |(1.97,3.25,;.59,2.57,;.43,1.04,;-1.08,.72,;-1.85,2.05,;-.82,3.2,;-1.04,4.72,;-1.75,-.66,;-.98,-2,;-1.75,-3.33,;-3.29,-3.33,;-3.95,-4.72,;-4.06,-2,;-3.29,-.66,;1.53,-.03,;3.04,.28,;4.06,-.87,;3.58,-2.34,;2.07,-2.65,;1.3,-3.98,;-.21,-3.65,;-.36,-2.12,;1.05,-1.5,)|
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629142
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1cc(N)nc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629103
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-6...)
Show SMILES Cc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c2cc[nH]c2n1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629101
PNG
(5-Fluoro-4-[3-(5-fluoro-2-pyridyl)-1-methyl-pyrazo...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1c(F)cnc2[nH]ccc12 |(-1.66,4.74,;-1.42,3.21,;-.05,2.52,;-.29,.99,;-1.81,.75,;-2.51,2.13,;-2.51,-.62,;-1.67,-1.91,;-2.37,-3.28,;-3.91,-3.36,;-4.61,-4.74,;-4.75,-2.07,;-4.05,-.7,;.8,-.09,;.4,-1.58,;-1.09,-1.98,;1.49,-2.67,;2.98,-2.27,;3.38,-.79,;4.75,-.09,;4.51,1.44,;2.99,1.68,;2.29,.3,)|
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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629102
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-5...)
Show SMILES Cn1cc-2c(n1)C1=CC=C(F)C=[N]1c1cnc3[nH]ccc3c-21 |c:12,t:7,9|
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629100
PNG
(3-Fluoro-4-[3-(5-fluoro-2-pyridyl)-1-methyl-pyrazo...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]cc(F)c12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629043
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629105
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-3...)
Show SMILES Cc1c[nH]c2nccc(-c3cn(C)nc3-c3ccc(F)cn3)c12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629043
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629112
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1c(cnc2[nH]ccc12)C#N |(-2.04,4.78,;-1.66,3.29,;-.23,2.71,;-.34,1.18,;-1.83,.8,;-2.65,2.11,;-2.41,-.63,;-3.95,-.74,;-4.62,-2.12,;-3.76,-3.4,;-4.43,-4.78,;-2.22,-3.29,;-1.55,-1.9,;.67,.01,;.28,-1.48,;1.37,-2.56,;2.86,-2.15,;3.25,-.66,;4.62,.04,;4.37,1.56,;2.85,1.8,;2.16,.42,;-.73,-2.64,;-1.73,-3.81,)|
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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629139
PNG
(N-(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc(NC(=O)C2CC2)c1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629060
PNG
(4-[3-(3,5-Difluoro-2-pyridyl)-1-methyl-pyrazol-4-y...)
Show SMILES Cn1cc(c(n1)-c1ncc(F)cc1F)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629091
PNG
(4-[1-(2-Fluoroethyl)-3-(5-fluoro-2-pyridyl)pyrazol...)
Show SMILES FCCn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629078
PNG
(4-[1-Ethyl-3-(5-fluoro-2-pyridyl)pyrazol-4-yl]-1H-...)
Show SMILES CCn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629110
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-5...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1c(cnc2[nH]ccc12)C(F)(F)F |(-1.41,4.2,;-1.03,2.71,;.39,2.13,;.29,.6,;-1.21,.22,;-2.02,1.53,;-1.78,-1.21,;-1.67,-2.74,;-2.94,-3.61,;-4.33,-2.94,;-5.6,-3.81,;-4.44,-1.41,;-3.17,-.54,;1.66,-.57,;1.16,-2.02,;2.17,-3.18,;3.68,-2.89,;4.18,-1.43,;5.6,-.83,;5.46,.71,;3.96,1.05,;3.17,-.27,;.07,-3.11,;-1.02,-4.2,;1.16,-4.2,;-1.02,-2.02,)|
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629081
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-isopropyl-pyrazol-4-yl...)
Show SMILES CC(C)n1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629151
PNG
(2-Ethoxy-8-[3-(5-fluoro-2-pyridyl)-1-methyl-pyrazo...)
Show SMILES CCOc1ccc2nccc(-c3cn(C)nc3-c3ccc(F)cn3)c2n1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629024
PNG
(N-(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol...)
Show SMILES CCC(=O)Nc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cn1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629094
PNG
(4-(1-Cyclobutyl-3-(5-fluoropyridin-2-yl)-1H-pyrazo...)
Show SMILES Cc1cc(-c2cn(nc2-c2ccc(F)cn2)C2CCC2)c2cn[nH]c2n1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629084
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-isobutyl-pyrazol-4-yl]...)
Show SMILES CC(C)Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ncc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629073
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-(oxetan-3-ylmethyl)pyr...)
Show SMILES Cc1cc(-c2cn(CC3COC3)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629030
PNG
(2-(1-Methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-p...)
Show SMILES Cn1cc(c(n1)-c1ncco1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629095
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-(oxetan-3-yl)pyrazol-4...)
Show SMILES Fc1ccc(nc1)-c1nn(cc1-c1ccnc2[nH]ccc12)C1COC1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629111
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]cc(C#N)c12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629126
PNG
(8-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-2...)
Show SMILES COc1ccc2nccc(-c3cn(C)nc3-c3ccc(F)cn3)c2n1
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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629119
PNG
(3-(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]c(cc12)C1(O)CCOC1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629051
PNG
(4-[3-(6-Fluoro-3-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)nc1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629088
PNG
(4-[1-(Difluoromethyl)-3-(5-fluoro-2-pyridyl)pyrazo...)
Show SMILES FC(F)n1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629050
PNG
(4-[3-(4-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1cc(F)ccn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629038
PNG
(3-(1-Methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-p...)
Show SMILES Cn1cc(c(n1)-c1ccsn1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629115
PNG
(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]c(cc12)C1COC1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629052
PNG
(4-[3-(6-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1cccc(F)n1)-c1ccnc2[nH]ccc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629117
PNG
(3-(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]c(cc12)C1(O)COC1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629123
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-3...)
Show SMILES Cc1n[nH]c2nc(C)cc(-c3cn(C)nc3-c3ccc(F)cn3)c12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629079
PNG
(4-(1-Ethyl-3-(5-fluoropyridin-2-yl)-1H-pyrazol-4-y...)
Show SMILES CCn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]ncc12
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629097
PNG
((R/S)-4-[3-(5-Fluoro-2-pyridyl)-1-tetrahydrofuran-...)
Show SMILES Fc1ccc(nc1)-c1nn(cc1-c1ccnc2[nH]ccc12)C1CCOC1
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629080
PNG
(4-(1-Ethyl-3-(5-fluoropyridin-2-yl)-1H-pyrazol-4-y...)
Show SMILES CCn1cc(c(n1)-c1ccc(F)cn1)-c1cc(C)nc2[nH]ncc12
PDB

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n/an/a 219n/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))
BDBM629107
PNG
(2-(Difluoromethyl)-4-(3-(5-fluoropyridin-2-yl)-1-m...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]c(cc12)C(F)F
PDB

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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629075
PNG
(4-(5-Cyclobutyl-3-(5-fluoropyridin-2-yl)-1-methyl-...)
Show SMILES Cn1nc(c(c1C1CCC1)-c1ccnc2[nH]ccc12)-c1ccc(F)cn1 |(2.77,4.13,;1.9,2.86,;.36,2.86,;-.12,1.4,;1.13,.49,;2.37,1.4,;3.83,.91,;5.17,1.68,;5.94,.35,;4.6,-.42,;1.1,-1.05,;-.23,-1.82,;-.23,-3.36,;1.1,-4.13,;2.43,-3.36,;3.9,-3.83,;4.8,-2.59,;3.9,-1.34,;2.43,-1.82,;-1.58,.92,;-1.86,-.6,;-3.3,-1.12,;-4.48,-.13,;-5.94,-.63,;-4.21,1.39,;-2.76,1.91,)|
PDB

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


(Homo sapiens (Human))
BDBM629146
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-2...)
Show SMILES Cc1nc(-c2cn(C)nc2-c2ccc(F)cn2)c2cc[nH]c2n1
PDB

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n/an/a 234n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629093
PNG
(4-(3-(5-Fluoropyridin-2-yl)-1-(2,2,2-trifluoroethy...)
Show SMILES Cc1cc(-c2cn(CC(F)(F)F)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
PDB

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n/an/a 236n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629122
PNG
(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-...)
Show SMILES Cc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
PDB

UniProtKB/SwissProt

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n/an/a 238n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629047
PNG
(4-[3-(5-Chloro-2-pyridyl)-1-methyl-pyrazol-4-yl]-1...)
Show SMILES Cn1cc(c(n1)-c1ccc(Cl)cn1)-c1ccnc2[nH]ccc12
PDB

UniProtKB/SwissProt

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n/an/a 251n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629086
PNG
(4-(3-(5-Fluoropyridin-2-yl)-1-isobutyl-1H-pyrazol-...)
Show SMILES CC(C)Cn1cc(c(n1)-c1ccc(F)cn1)-c1cc(C)nc2[nH]ncc12
PDB

UniProtKB/SwissProt

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n/an/a 253n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629108
PNG
(4-(3-(5-Fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2[nH]c(cc12)C(F)(F)F
PDB

UniProtKB/SwissProt

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n/an/a 255n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM629130
PNG
(4-[3-(5-Fluoro-2-pyridyl)-1-methyl-pyrazol-4-yl]-7...)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cn1)-c1ccnc2cc(ccc12)C(F)(F)F
PDB

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n/an/a 264n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629066
PNG
(4-[3-(5-Fluoropyrimidin-2-yl)-1-methyl-pyrazol-4-y...)
Show SMILES Cn1cc(c(n1)-c1ncc(F)cn1)-c1ccnc2[nH]ccc12
PDB

UniProtKB/SwissProt

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n/an/a 268n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM629063
PNG
(4-(3-(5-Fluoro-6-methylpyridin-2-yl)-1-methyl-1H-p...)
Show SMILES Cc1cc(-c2cn(C)nc2-c2ccc(F)c(C)n2)c2cn[nH]c2n1
PDB

UniProtKB/SwissProt

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n/an/a 288n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
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