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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with Target = 'CDK8/Cyclin C'   
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
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350265
PNG
(US10208056, Compound 92)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCOCC2)n1CCF
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
US Patent
n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350267
PNG
(US10208056, Compound 95)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCOCC1)C(N)=O |r|
PDB

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n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350268
PNG
(US10208056, Compound 96)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCOCC1)C(N)=O |r|
PDB

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n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350270
PNG
(US10208056, Compound 105)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCCCC1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350239
PNG
(US10208056, Compound 66)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 0.191n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350249
PNG
(US10208056, Compound 76)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCC2)n1CCF
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 0.262n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350256
PNG
(US10208056, Compound 83)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
PDB

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UniProtKB/SwissProt

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n/an/a 0.278n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350253
PNG
(US10208056, Compound 80)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
PDB

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UniProtKB/SwissProt

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n/an/a 0.314n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350262
PNG
(US10208056, Compound 89)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
PDB

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n/an/a 0.407n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350240
PNG
(US10208056, Compound 67)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
PDB

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UniProtKB/SwissProt

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n/an/a 0.466n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350252
PNG
(US10208056, Compound 79)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCN(CC(F)(F)F)CC1)C(N)=O
PDB

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n/an/a 1.11n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350263
PNG
(US10208056, Compound 90)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
PDB

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n/an/a 1.36n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350227
PNG
(US10208056, Compound 57)
Show SMILES NC(=O)c1cc2C(Oc3cnccc3-c2[nH]1)C1CCCCC1
PDB

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n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350220
PNG
(US10208056, Compound 52)
Show SMILES CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CCF
PDB

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n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350211
PNG
(US10208056, Compound 43)
Show SMILES CCn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350257
PNG
(US10208056, Compound 84)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCCCC2)n1CCF
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350183
PNG
(US10208056, Compound 15)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.96n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350190
PNG
(US10208056, Compound 22)
Show SMILES Cn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.98n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350202
PNG
(US10208056, Compound 34)
Show SMILES CC1(C)Oc2cncc(Cl)c2-c2[nH]c(cc12)C(N)=O
PDB

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UniProtKB/SwissProt

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n/an/a 2.10n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350255
PNG
(US10208056, Compound 82)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCOCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.19n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350269
PNG
(US10208056, Compound 104)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCOCC1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350169
PNG
(US10208056, Compound 1)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(cc12)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.59n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350266
PNG
(US10208056, Compound 94)
Show SMILES CCn1c(C(N)=O)c(C2CC2)c2c1-c1ccncc1OC2(C)C
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.65n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350241
PNG
(US10208056, Compound 68)
Show SMILES CCn1c(C(N)=O)c(c2c1-c1ccncc1OC2(C)C)-c1ccccc1OC |(-1.84,4.02,;-2.24,2.53,;-1.15,1.44,;.38,1.6,;1.15,2.93,;2.69,2.93,;.38,4.27,;1.01,.19,;-.14,-.84,;-1.47,-.07,;-2.8,-.84,;-4.14,-.07,;-5.47,-.84,;-5.47,-2.38,;-4.14,-3.15,;-2.8,-2.38,;-1.47,-3.15,;-.14,-2.38,;-.14,-3.92,;1.2,-3.15,;2.5,-.2,;3.58,.88,;5.07,.49,;5.47,-1,;4.38,-2.09,;2.89,-1.69,;1.81,-2.78,;2.2,-4.27,)|
PDB

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n/an/a 3.23n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350254
PNG
(US10208056, Compound 81)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCOCC1)C(N)=O
PDB

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UniProtKB/SwissProt

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



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350181
PNG
(US10208056, Compound 13)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCCCC1
PDB

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UniProtKB/SwissProt

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n/an/a 4.18n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350259
PNG
(US10208056, Compound 86)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c12
PDB

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n/an/a 4.33n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350245
PNG
(US10208056, Compound 72)
Show SMILES NC(=O)c1cc2[C@@H](Oc3cnccc3-c2[nH]1)C1CCOCC1 |r|
PDB

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UniProtKB/SwissProt

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n/an/a 4.46n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350213
PNG
(US10208056, Compound 45)
Show SMILES COCCn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 4.64n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350250
PNG
(US10208056, Compound 77)
Show SMILES CC(=O)N1CCC2(CC1)Oc1cnccc1-c1[nH]c(cc21)C(N)=O
PDB

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UniProtKB/SwissProt

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n/an/a 7.48n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350243
PNG
(US10208056, Compound 70)
Show SMILES NC(=O)c1cc2[C@@H](Oc3cnccc3-c2[nH]1)C1CCCCC1 |r|
PDB

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UniProtKB/SwissProt

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n/an/a 8.5n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350198
PNG
(US10208056, Compound 30)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(O)=O)c(c12)-c1ccc(cc1)S(N)(=O)=O
PDB

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n/an/a 8.94n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350196
PNG
(US10208056, Compound 28)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(Cl)c12
PDB

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n/an/a 9.32n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350201
PNG
(US10208056, Compound 33)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C=C)c12
PDB

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n/an/a 12.3n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350203
PNG
(US10208056, Compound 35)
Show SMILES CC1(C)Oc2cncc(Cl)c2-c2[nH]c(cc12)C(O)=O
PDB

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n/an/a 13.3n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350261
PNG
(US10208056, Compound 88)
Show SMILES CCn1c(C(N)=O)c(c2c1-c1ccncc1OC2(C)C)-c1cccc(OC)c1
PDB

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n/an/a 13.9n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350260
PNG
(US10208056, Compound 87)
Show SMILES COCCn1c(cc2c1-c1ccncc1OC21CCOCC1)C(N)=O
PDB

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n/an/a 14.2n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350248
PNG
(US10208056, Compound 75)
Show SMILES CCn1c(C(N)=O)c(c2c1-c1ccncc1OC2(C)C)-c1ccccc1C(F)(F)F |(-2.34,4.02,;-.85,3.62,;-.45,2.13,;1.07,1.89,;2.16,2.98,;1.76,4.47,;3.64,2.58,;1.31,.37,;-.06,-.33,;-1.15,.76,;-2.64,.36,;-3.73,1.45,;-5.22,1.05,;-5.62,-.44,;-4.53,-1.53,;-3.04,-1.13,;-1.95,-2.22,;-.46,-1.82,;-.86,-3.31,;1.02,-1.42,;2.64,-.4,;3.73,.69,;5.22,.29,;5.62,-1.2,;4.53,-2.29,;3.04,-1.89,;1.95,-2.98,;2.35,-4.47,;.46,-2.58,;.86,-4.07,)|
PDB

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n/an/a 14.4n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350228
PNG
(US10208056, Compound 58)
Show SMILES CC1Oc2cnccc2-c2[nH]c(cc12)C(N)=O
PDB

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n/an/a 14.4n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350242
PNG
(US10208056, Compound 69)
Show SMILES NC(=O)c1cc2[C@H](Oc3cnccc3-c2[nH]1)C1CCCCC1 |r|
PDB

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n/an/a 19.3n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350186
PNG
(US10208056, Compound 18)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCN(CC(F)(F)F)CC1
PDB

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n/an/a 20.2n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350222
PNG
(US10208056, Compound 53)
Show SMILES CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CC(F)(F)F
PDB

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n/an/a 21.6n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350182
PNG
(US10208056, Compound 14)
Show SMILES OC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCCCC1
PDB

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n/an/a 23.9n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350200
PNG
(US10208056, Compound 32)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(c12)-c1ccc(cc1)S(N)(=O)=O
PDB

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n/an/a 26.2n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350199
PNG
(US10208056, Compound 31)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(c12)-c1ccccc1
PDB

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n/an/a 29.7n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350224
PNG
(US10208056, Compound 54)
Show SMILES CC(C)C1(C)Oc2cnccc2-c2[nH]c(cc12)C(N)=O
PDB

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n/an/a 31.1n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350219
PNG
(US10208056, Compound 51)
Show SMILES COc1ccc(cc1)-c1c([nH]c-2c1C(C)(C)Oc1cnccc-21)C(N)=O
PDB

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n/an/a 31.9n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350225
PNG
(US10208056, Compound 55)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(c12)C1=CCOCC1 |t:21|
PDB

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n/an/a 39.3n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350197
PNG
(US10208056, Compound 29)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(O)=O)c(Br)c12
PDB

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n/an/a 52.5n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350188
PNG
(US10208056, Compound 20)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCOCC1
PDB

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n/an/a 54.7n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
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