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Compile Data Set for Download or QSAR

Found 1083 hits of affinity data for UniProtKB/TrEMBL: P01375    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
tumor necrosis factor alpha


(Homo sapiens)
IK682
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.35n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL446697
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1
PDB
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AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 0.48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL363126
PNG
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
PDB
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CHEMBL
PC cid
PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 1.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL186500
PNG
((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
PDB
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PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 1.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL186663
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
PDB
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PC sid
ZINC 0

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Article
PubMed
n/an/a 2.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL148351
PNG
(CHEBI:342761 | CHEMBL148351 | N-Hydroxy-2-{3-methy...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccnc3ccccc23)cc1)C(=O)NO
PDB
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PC cid
PC sid
ZINC 0

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Article
PubMed
n/an/a 2.25n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL436277
PNG
((2R,3R)-3-Hydroxy-1-[4-(isoquinolin-8-ylmethoxy)-b...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3ccncc23)cc1
PDB
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PC cid
PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL365283
PNG
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
PDB
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PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL186743
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-pyridin-...)
Show SMILES Cc1ncccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
PDB
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PC cid
PC sid
ZINC 1

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AffyNet 
Article
PubMed
n/an/a 3.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL342076
PNG
(CHEBI:342794 | CHEMBL342076 | N-Hydroxy-2-{3-methy...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccncc2)cc1)C(=O)NO
PDB
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PC cid
PC sid
ZINC 1

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AffyNet 
Article
PubMed
n/an/a 5.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL187474
PNG
((2R,3R)-1-[4-(2-Chloro-pyridin-4-ylmethoxy)-benzen...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccnc(Cl)c2)cc1
PDB
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PC sid
ZINC 1

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AffyNet 
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL436071
PNG
(2-{3-[4-(3,5-Dimethyl-pyridin-4-ylmethoxy)-phenyl]...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2c(C)cncc2C)cc1)C(=O)NO
PDB
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PC cid
PC sid
ZINC 1

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Article
PubMed
n/an/a 6.6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL365247
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(pyridin-4-ylmetho...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccncc2)cc1
PDB
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PC cid
PC sid
ZINC 1

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AffyNet 
Article
PubMed
n/an/a 7.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL183995
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
PDB
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PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 7.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL436071
PNG
(2-{3-[4-(3,5-Dimethyl-pyridin-4-ylmethoxy)-phenyl]...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2c(C)cncc2C)cc1)C(=O)NO
PDB
MMDB

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PC cid
PC sid
ZINC 1

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AffyNet 
Article
PubMed
n/an/a 8.1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL183474
PNG
(CHEBI:409696 | CHEMBL183474 | i(2R,3R)-1-[4-(2-Chl...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
PDB
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PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 8.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL187092
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
PDB
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PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 10.4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha releasein LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630098
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
PDB
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PC cid
PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 12.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL187852
PNG
((2R,3R)-3-Hydroxy-1-[4-(2-methoxy-benzyloxy)-benze...)
Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
PDB
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PC cid
PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 14.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL369115
PNG
((2R,3R)-1-[4-(3-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(F)c2)cc1
PDB
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PC cid
PC sid
ZINC 0

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AffyNet 
Article
PubMed
n/an/a 15.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL187245
PNG
((2R,3R)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
PDB
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PC sid
ZINC 0

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Article
PubMed
n/an/a 17.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_44229055
PNG
(MLS-0412185.0001)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
PDB
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ZINC 0

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PCBioAssay
n/an/a 24.4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL182306
PNG
((2R,3R)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2F)cc1
PDB
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ZINC 0

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AffyNet 
Article
PubMed
n/an/a 33.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_6861088
PNG
(MLS000778920 | SMR000415623 | {1-Benzothiazol-2-yl...)
Show SMILES COC(=O)CC1=NN(C(=O)\C1=C(/C)Nc1ccc(Cl)cc1)c1nc2ccccc2s1 |t:5|
PDB
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PC cid
PC sid
ZINC 1

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PCBioAssay
n/an/a 36.9n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_7584226
PNG
(MLS000779088 | SMR000415776 | {1-Benzothiazol-2-yl...)
Show SMILES Cl.CC(C)(C)NN=C1CC(Oc2ccccc12)c1ccccc1
PDB
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PC cid
PC sid
ZINC 0

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AffyNet 
PCBioAssay
n/an/a 37.3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_16460826
PNG
(MLS000778899 | SMR000415593 | {1-Benzothiazol-2-yl...)
Show SMILES CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
PDB
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PC cid
PC sid
ZINC 1

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AffyNet 
PCBioAssay
n/an/a<39.1n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_2401486
PNG
(MLS-0243959.0001)
Show SMILES COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C
PDB
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n/an/a<39.1n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_2409986
PNG
(MLS-0107661.0001)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1
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n/an/a<39.1n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_3390551
PNG
(MLS000767476 | N-(2,2-Dimethyl-propionyl)-N'-(...)
Show SMILES COc1ccc2cc(C3C(C#N)=C(N)OC(C)=C3C(C)=O)c(Cl)nc2c1 |c:16,t:11|
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n/an/a<39.1n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_5057111
PNG
(MLS001033592 | SMR000363995)
Show SMILES OC(=O)CCn1cc(\C=C\C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
PDB
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n/an/a 45.6n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL187141
PNG
((2R,3R)-3-Hydroxy-3-methyl-1-[4-(pyrazin-2-ylmetho...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cnccn2)cc1
PDB
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n/an/a 60.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630091
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
PDB
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n/an/a 60.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630090
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
PDB
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n/an/a 70.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_9587731
PNG
(MLS-0379504.0001)
Show SMILES Cc1ccc(C(=O)O\N=C(/N)c2ccccn2)c(C)c1
PDB
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n/an/a 70.6n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL360854
PNG
((2R,3R)-1-[4-(4-Chloro-2-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2F)cc1
PDB
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n/an/a 73.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_24817336
PNG
(MLS-0378444.0001)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1
PDB
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n/an/a 79.3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL426975
PNG
((2R,3R)-1-[4-(2-Cyano-benzyloxy)-benzenesulfonyl]-...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1
PDB
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n/an/a 100.0n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha release in LPS treated whole blood


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630088
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
PDB
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n/an/a 110.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630089
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
PDB
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n/an/a 140.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_1106361
PNG
(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Show SMILES CCN(CC)CCCNC(=O)Cn1cnc2ccc(cc2c1=O)S(=O)(=O)N1CCC(C)CC1
PDB
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n/an/a 140.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_24792090
PNG
(MLS-0384970.0001)
Show SMILES CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
PDB
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n/an/a 179.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_24793159
PNG
(MLS-0375912.0001)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
PDB
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n/an/a 200.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630103
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
PDB
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n/an/a 200.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_2196728
PNG
(MLS-0412039.0001)
Show SMILES Cc1ccc(cc1NC(=O)c1cc(Cl)c2ccccc2c1O)[N+]([O-])=O
PDB
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n/an/a 206.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630106
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
PDB
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n/an/a 230.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_7110073
PNG
(MLS000720339 | SMR000236235)
Show SMILES Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5F)nc4O3)c2c1
PDB
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n/an/a 230.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_44182145
PNG
(MLS-0412140.0001)
Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
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n/an/a 236.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630104
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
PDB
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n/an/a 240.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
cid_709072
PNG
(MLS-0412171.0001)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccccc2s1
PDB
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n/an/a 246.0n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
tumor necrosis factor alpha


(Homo sapiens)
CHEMBL1630102
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(3-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
PDB
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n/an/a 260.0n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Citation and Details

More data for this
Ligand-Target Pair
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