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Compile Data Set for Download or QSAR

Found 1375 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 (TNF-alpha)


(Homo sapiens (Human))
US8541572, 441
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cncc(c3)C3=CCN=C3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;;;;;$,c:29,t:26|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.03n/a 260.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 287
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cc(F)c4c(O)n[nH]c4c3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.03n/a 383.45n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 286
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cc(F)c4c(O)n[nH]c4c3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0521n/a 723.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 330
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0524n/a 61.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 327
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3ccncc3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0556n/a 65.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 466
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cncc(c3)-c3cc[nH]n3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.06n/a 678.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 344
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0627n/a 75.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 509
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCN(CC3)C3CCCCCC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.063n/a 151.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 328
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cccnc3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0651n/a 80.25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 504
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCN(CC3)C3CC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.072n/a 92.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 516
PNG
((R)-5-((4-(3-hydroxypyridin-2-yl)phenyl)ethynyl)-5...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ncccc3O)C(=O)c2c1 |r|
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
US Patent
0.074n/a 117.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 362
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3ncccc3OC(=O)C(C)(C)C)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0762n/a 341.55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 359
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3O)-c3cccnc3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.077n/a 118.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 358
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cccnc3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0781n/a 105.65n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 360
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)N3CCC(=O)CC3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0826n/a 123.85n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 521
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCN(C)CC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.083n/a 65.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 518
PNG
Show SMILES CCN1CCN(CC1)c1ccc(O)c(n1)-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.093n/a 72.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 507
PNG
Show SMILES CCCCN1CCN(CC1)C(=NO)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:11.12|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.093n/a 74.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 343
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0973n/a 87.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 333
PNG
Show SMILES CCN1CCN(CC1)c1ccc(O)c(n1)-c1ccc(cc1F)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)CC(=O)NC1=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.0988n/a 39.75n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 529
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3C)C3(C)NC(=O)CC3=O)C(=O)c2c1 |r,w:25.27,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.1n/a 490.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 508
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCN(CC3)C3CCCCC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.11n/a 76.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 539
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1F |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.11n/a 134.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 411
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccccc3C=O)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.11n/a 936.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 345
PNG
Show SMILES CCC(=O)Oc1ccc(nc1-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)CC(=O)NC1=O)-c1cnn(C)c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.115n/a 55.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 395
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3C(CCC3=O)C(=O)NC3CC3)C(=O)c2c1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.12n/a 127.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 523
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCCCC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.12n/a 154.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 524
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(s3)C(=NO)N3CCN(C)CC3)C(=O)c2c1 |r,w:24.26|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.12n/a 220.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 538
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cccnc3-c3cn[nH]c3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.12n/a 927.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 519
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCOCC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.13n/a 100.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 394
PNG
Show SMILES CCN1CCN(CC1)C(=O)C1CCC(=O)N1c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.13n/a 113.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 510
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCN(CC3)c3ccccc3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.15n/a 278.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 453
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cc(ccc3C)C(N)=O)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.15n/a 417.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 464
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3cncc(c3)-c3csc(N)n3)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.15n/a 811.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 498
PNG
Show SMILES CCN1CCN(CC1)C(=NO)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:9.10|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.16n/a 20.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 499
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCSCC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.16n/a 153.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 448
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)C3(CN)NC(=O)NC3=O)C(=O)c2c1 |r,w:24.26,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.16n/a 229.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 483
PNG
Show SMILES COc1ccc2CN(C[C@]3(CC(=O)NC3=O)C#Cc3ccc(cc3)C(O)(O)C(F)(F)F)C(=O)c2c1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.16n/a 257.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 402
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CC(=O)C4CCN(C)CC4)cc3)C(=O)c2c1 |r,$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.17n/a 78.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 522
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCC(=O)CC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.17n/a 86.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 470
PNG
Show SMILES CCN1CCN(CC1)c1n[nH]c2cc(ccc12)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.17n/a 187.95n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 493
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(NC(=O)NC3=O)C3CCC3)C(=O)c2c1 |r,w:24.33|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.17n/a 382.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 384
PNG
Show SMILES CCN1CCN([C@@H](C)C1)C(=N/O)\c1ccc(cc1F)C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.18n/a 69.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 400
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)C(=O)c2c1F |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.18n/a 86.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 527
PNG
Show SMILES CCN1CCN(CC1)C(=NO)c1ccc(cn1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:9.10|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.18n/a 87.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 503
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(c3)C(=NO)N3CCOCC3)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.18n/a 274.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 496
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4oc(cc4c3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r,w:27.30|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.18n/a 292.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 382
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(\C(=N\O)N4CCNC[C@@H]4C)c(F)c3)C(=O)c2c1F |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.19n/a 42.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 513
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCCN(CC3)C(C)C)C(=O)c2c1 |r,w:25.27|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
US Patent
0.19n/a 47.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
US8541572, 379
PNG
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(Nc4c(CCCN5CCOCC5)c(=O)c4=O)cc3)C(=O)c2c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;$|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC sid
AffyNet 
US Patent
0.19n/a 169.0n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition assay using TNF-alpha.


US Patent US8541572 (2013)

More data for this
Ligand-Target Pair
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