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Compile Data Set for Download or QSAR

Found 191 hits of ic50 for UniProtKB: P49336   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350239
PNG
(US10208056, Compound 66)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
Show InChI InChI=1S/C16H17N3O2/c1-2-19-12(15(17)20)8-11-14(19)10-4-7-18-9-13(10)21-16(11)5-3-6-16/h4,7-9H,2-3,5-6H2,1H3,(H2,17,20)
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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


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350249
PNG
(US10208056, Compound 76)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCC2)n1CCF
Show InChI InChI=1S/C16H16FN3O2/c17-5-7-20-12(15(18)21)8-11-14(20)10-2-6-19-9-13(10)22-16(11)3-1-4-16/h2,6,8-9H,1,3-5,7H2,(H2,18,21)
PDB

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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


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350256
PNG
(US10208056, Compound 83)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
Show InChI InChI=1S/C17H19N3O2/c1-20-13(16(18)21)9-12-15(20)11-5-8-19-10-14(11)22-17(12)6-3-2-4-7-17/h5,8-10H,2-4,6-7H2,1H3,(H2,18,21)
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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


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350253
PNG
(US10208056, Compound 80)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c1-2-21-14(17(19)22)10-13-16(21)12-6-9-20-11-15(12)23-18(13)7-4-3-5-8-18/h6,9-11H,2-5,7-8H2,1H3,(H2,19,22)
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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


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350262
PNG
(US10208056, Compound 89)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-2-22-15(19(20)23)10-14-17(22)13-8-9-21-11-16(13)24-18(14)12-6-4-3-5-7-12/h8-12,18H,2-7H2,1H3,(H2,20,23)/t18-/m0/s1
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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


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350240
PNG
(US10208056, Compound 67)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
Show InChI InChI=1S/C15H15N3O2/c1-18-11(14(16)19)7-10-13(18)9-3-6-17-8-12(9)20-15(10)4-2-5-15/h3,6-8H,2,4-5H2,1H3,(H2,16,19)
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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


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640341
PNG
(8-Amino-N-(cyclopropylmethyl)-5-(4- (1-(2-(dimethy...)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)NCC1CC1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640350
PNG
(2-(4-(4-(8-amino-3-(azetidine-1- carbonyl)-1,7-nap...)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)N1CCC1
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More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532287
PNG
(US11213520, Example I-005)
Show SMILES C[C@H](C(=O)N(C)C)n1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12 |r|
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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540074
PNG
(US11261184, Example I-021)
Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CCN(C1)c1ccc(Oc2ccnc3c(F)cncc23)cc1 |r|
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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640351
PNG
(2-(4-(4-(8-amino-3-(azetidine-1- carbonyl)-1,7-nap...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)N1CCC1
PDB

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Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640354
PNG
(8-amino-N-(2-methoxyethyl)-N- methyl-5-(4-(1-(2-(4...)
Show SMILES COCCN(C)C(=O)c1cnc2c(N)ncc(-c3ccc(cc3)-c3cnn(CC(=O)N4CCN(C)CC4)c3)c2c1
PDB

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More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640346
PNG
(8-amino-N-cyclopropyl-5-(4-(1-(2-(2- methoxyethyl)...)
Show SMILES COCCn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)NC1CC1
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More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640345
PNG
(8-amino-N-cyclopropyl-5-(4-(1-(2-(4- methylpiperaz...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)NC1CC1
PDB

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More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50509567
PNG
(CHEMBL4455382 | US11213520, Example I-003)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12
Show InChI InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
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TBA

Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640344
PNG
(8-amino-N-cyclopropyl-5-(4-(1-(2- (dimethylamino)-...)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)NC1CC1
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More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350252
PNG
(US10208056, Compound 79)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCN(CC(F)(F)F)CC1)C(N)=O
Show InChI InChI=1S/C19H21F3N4O2/c1-2-26-14(17(23)27)9-13-16(26)12-3-6-24-10-15(12)28-18(13)4-7-25(8-5-18)11-19(20,21)22/h3,6,9-10H,2,4-5,7-8,11H2,1H3,(H2,23,27)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540069
PNG
(US11261184, Example I-016)
Show SMILES CN1CCN(CC1)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3c(F)cncc23)cc1 |r|
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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540071
PNG
(US11261184, Example I-018)
Show SMILES CN(C)C(=O)[C@@H]1CCN(C1)c1ccc(Oc2ccnc3c(Cl)cncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540066
PNG
(US11261184, Example I-013)
Show SMILES Clc1cncc2c(Oc3ccc(cc3)N3CC[C@@H](C3)C(=O)N3CCOCC3)ccnc12 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532311
PNG
(US11213520, Example I-007)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640353
PNG
(8-amino-5-(4-(1-(2-(dimethylamino)- 2-oxoethyl)-1H...)
Show SMILES COCCN(C)C(=O)c1cnc2c(N)ncc(-c3ccc(cc3)-c3cnn(CC(=O)N(C)C)c3)c2c1
PDB

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Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640352
PNG
((8-amino-5-(4-(1-(2-methoxyethyl)- 1H-pyrazole-4-y...)
Show SMILES COCCn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)N1CCC1
PDB

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Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540063
PNG
(US11261184, Example I-010)
Show SMILES CN(CCO)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3c(Cl)cncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532312
PNG
(US11213520, Example I-008)
Show SMILES CN(C)C(=O)Cn1cc(c(C)n1)-c1ccc(cc1)-c1cncc2ccccc12
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540062
PNG
(US11261184, Example I-007)
Show SMILES CN(C)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3c(Cl)cncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532314
PNG
(US11213520, Example I-010)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(CO)cc12
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540065
PNG
(US11261184, Example I-012)
Show SMILES CN1CCN(CC1)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3c(Cl)cncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350263
PNG
(US10208056, Compound 90)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-2-22-15(19(20)23)10-14-17(22)13-8-9-21-11-16(13)24-18(14)12-6-4-3-5-7-12/h8-12,18H,2-7H2,1H3,(H2,20,23)/t18-/m1/s1
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640342
PNG
(8-amino-N-(cyclopropylmethyl)-5-(4- (1-(2-(4-methy...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)NCC1CC1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532315
PNG
(US11213520, Example I-011)
Show SMILES CC(O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(CC(=O)N(C)C)c3)c2c1
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540073
PNG
(US11261184, Example I-020)
Show SMILES CN(CCO)C(=O)[C@@H]1CCN(C1)c1ccc(Oc2ccnc3c(F)cncc23)cc1 |r|
PDB

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Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540077
PNG
(US11261184, Example I-024)
Show SMILES CN([C@H]1CCN(C1)c1ccc(Oc2ccnc3c(F)cncc23)cc1)C(C)=O |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350211
PNG
(US10208056, Compound 43)
Show SMILES CCn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
Show InChI InChI=1S/C15H17N3O2/c1-4-18-11(14(16)19)7-10-13(18)9-5-6-17-8-12(9)20-15(10,2)3/h5-8H,4H2,1-3H3,(H2,16,19)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350270
PNG
(US10208056, Compound 105)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCCCC1
Show InChI InChI=1S/C18H20ClN3O2/c1-2-22-15-11-6-9-21-10-12(11)24-18(7-4-3-5-8-18)13(15)14(19)16(22)17(20)23/h6,9-10H,2-5,7-8H2,1H3,(H2,20,23)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350268
PNG
(US10208056, Compound 96)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCOCC1)C(N)=O |r|
Show InChI InChI=1S/C18H21N3O3/c1-2-21-14(18(19)22)9-13-16(21)12-3-6-20-10-15(12)24-17(13)11-4-7-23-8-5-11/h3,6,9-11,17H,2,4-5,7-8H2,1H3,(H2,19,22)/t17-/m1/s1
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350267
PNG
(US10208056, Compound 95)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCOCC1)C(N)=O |r|
Show InChI InChI=1S/C18H21N3O3/c1-2-21-14(18(19)22)9-13-16(21)12-3-6-20-10-15(12)24-17(13)11-4-7-23-8-5-11/h3,6,9-11,17H,2,4-5,7-8H2,1H3,(H2,19,22)/t17-/m0/s1
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350265
PNG
(US10208056, Compound 92)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCOCC2)n1CCF
Show InChI InChI=1S/C17H18FN3O3/c18-4-6-21-13(16(19)22)9-12-15(21)11-1-5-20-10-14(11)24-17(12)2-7-23-8-3-17/h1,5,9-10H,2-4,6-8H2,(H2,19,22)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350220
PNG
(US10208056, Compound 52)
Show SMILES CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CCF
Show InChI InChI=1S/C15H16FN3O2/c1-15(2)10-7-11(14(17)20)19(6-4-16)13(10)9-3-5-18-8-12(9)21-15/h3,5,7-8H,4,6H2,1-2H3,(H2,17,20)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM350257
PNG
(US10208056, Compound 84)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCCCC2)n1CCF
Show InChI InChI=1S/C18H20FN3O2/c19-7-9-22-14(17(20)23)10-13-16(22)12-4-8-21-11-15(12)24-18(13)5-2-1-3-6-18/h4,8,10-11H,1-3,5-7,9H2,(H2,20,23)
PDB

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

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


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

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

US Patent


Assay Description
The binding assay relies on the LanthaScreen™ Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and...

US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM640349
PNG
((8-amino-5-(4-(1-(2-methoxyethyl)- 1H-pyrazole-4-y...)
Show SMILES COCCn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ncc(cc12)C(=O)N1CCN(C)CC1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532321
PNG
(US11213520, Example I-017)
Show SMILES O=C(Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccncc12)N1CCCC1
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540068
PNG
(US11261184, Example I-015)
Show SMILES CN(C)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3c(F)cncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540064
PNG
(US11261184, Example I-011)
Show SMILES COCCN(C)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3c(Cl)cncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532283
PNG
(US11213520, Example I-002)
Show SMILES CN(C1CCN(C)CC1)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540078
PNG
(US11261184, Example I-025)
Show SMILES Fc1cncc2c(Oc3ccc(cc3)N3CC[C@@H](C3)N3CCCC3=O)ccnc12 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532313
PNG
(US11213520, Example I-009)
Show SMILES CC(C(=O)N(C)C)n1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM532320
PNG
(US11213520, Example I-016)
Show SMILES O=C(Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccncc12)N1CCOCC1
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ35V1
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM540061
PNG
(US11261184, Example I-006)
Show SMILES CN(C)C(=O)[C@H]1CCN(C1)c1ccc(Oc2ccnc3ccncc23)cc1 |r|
PDB

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Assay Description
Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322TP
More data for this
Ligand-Target Pair
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