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Compile Data Set for Download or QSAR

Found 51 hits for UniProtKB: Q9Y6K9    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL382945
PNG
((4-(4-(5-(3-amino-3-ethylpentyl)thiophen-2-yl)pyri...)
Show SMILES CCC(N)(CC)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 30.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL199837
PNG
((4-(4-(5-(3-amino-3-methylbutyl)thiophen-2-yl)pyri...)
Show SMILES CC(C)(N)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 40.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200106
PNG
((4-(4-(5-(4-hydroxybutyl)thiophen-2-yl)pyrimidin-2...)
Show SMILES OCCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 40.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL371543
PNG
((4-(4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)py...)
Show SMILES CC(C)(O)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 50.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200027
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

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B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 70.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200229
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 80.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200462
PNG
((4-(4-(5-(3-methoxypropyl)thiophen-2-yl)pyrimidin-...)
Show SMILES COCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 100.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL372736
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2cc3ccccc3s2)ccc1C(=O)N1CCC(CC1)N1CCCC1
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 150.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL381041
PNG
((4-(4-(5-(3-amino-3-methylbut-1-ynyl)thiophen-2-yl...)
Show SMILES CC(C)(N)C#Cc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
n/an/a 200.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200106
PNG
((4-(4-(5-(4-hydroxybutyl)thiophen-2-yl)pyrimidin-2...)
Show SMILES OCCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 200.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200106
PNG
((4-(4-(5-(4-hydroxybutyl)thiophen-2-yl)pyrimidin-2...)
Show SMILES OCCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 200.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200106
PNG
((4-(4-(5-(4-hydroxybutyl)thiophen-2-yl)pyrimidin-2...)
Show SMILES OCCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 200.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL199980
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-...)
Show SMILES Clc1cc(Nc2nccc(n2)-c2cc3ccccc3s2)ccc1C(=O)N1CCC(CC1)N1CCCC1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 250.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200027
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 300.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200027
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 300.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TNFalpha release from human PBMC


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200027
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 300.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200832
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N...)
Show SMILES CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 300.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200229
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 300.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200229
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 400.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200462
PNG
((4-(4-(5-(3-methoxypropyl)thiophen-2-yl)pyrimidin-...)
Show SMILES COCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 400.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200229
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 400.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL371543
PNG
((4-(4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)py...)
Show SMILES CC(C)(O)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 450.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200462
PNG
((4-(4-(5-(3-methoxypropyl)thiophen-2-yl)pyrimidin-...)
Show SMILES COCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200832
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N...)
Show SMILES CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200832
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N...)
Show SMILES CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200027
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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PubMed
n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL371543
PNG
((4-(4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)py...)
Show SMILES CC(C)(O)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200832
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N...)
Show SMILES CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL371967
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N...)
Show SMILES O=C(NCCN1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL371543
PNG
((4-(4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)py...)
Show SMILES CC(C)(O)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 600.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200462
PNG
((4-(4-(5-(3-methoxypropyl)thiophen-2-yl)pyrimidin-...)
Show SMILES COCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 600.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL372160
PNG
(N-(2-methyl-4-(5-(2-(4-(4-(pyrrolidin-1-yl)piperid...)
Show SMILES CC(=O)NC(C)(C)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 800.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200027
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 1000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200462
PNG
((4-(4-(5-(3-methoxypropyl)thiophen-2-yl)pyrimidin-...)
Show SMILES COCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 1000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200229
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 2000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL371543
PNG
((4-(4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)py...)
Show SMILES CC(C)(O)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 2000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200106
PNG
((4-(4-(5-(4-hydroxybutyl)thiophen-2-yl)pyrimidin-2...)
Show SMILES OCCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
PDB
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n/an/a 2000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL382752
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 2000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL382752
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 2000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL382752
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 2000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL370166
PNG
(N-(2-aminoethyl)-4-(4-(benzo[b]thiophen-2-yl)pyrim...)
Show SMILES NCCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 4400.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200832
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N...)
Show SMILES CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 5000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL382752
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 8500.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200946
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 18000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL382752
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 20000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200946
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 50000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of ICAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200946
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 50000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of VCAM1 in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200946
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 50000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated expression of E-selectin in HUVEC cells


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL200946
PNG
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
PDB
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n/an/a 100000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated IkappaBalpha degradation


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator


(Homo sapiens)
CHEMBL372345
PNG
(2-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES OC(=O)c1ccccc1Nc1nccc(n1)-c1cc2ccccc2s1
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n/an/a>100000.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against IKK complex isolated from HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
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