BindingDB logo
myBDB logout

PubChem AID 2337

Compile Data Set for Download or QSAR

Found 304 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62288
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(tr...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)31-22-11-9-21(10-12-22)28-23(30)19-7-5-17(6-8-19)15-29-14-13-18-3-1-2-4-20(18)16-29/h1-12H,13-16H2,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM44245
PNG
(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroan...)
Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O3S/c1-12(23-14-9-7-13(22)8-10-14)19-16(11-18(27)29-2)25-26(20(19)28)21-24-15-5-3-4-6-17(15)30-21/h3-10,25H,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM52783
PNG
(2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazo...)
Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1
Show InChI InChI=1S/C21H18N4O3S/c1-13(22-14-8-4-3-5-9-14)19-16(12-18(26)28-2)24-25(20(19)27)21-23-15-10-6-7-11-17(15)29-21/h3-11,24H,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54393
PNG
(2,2-dimethyl-N-[N'-(5-methyl-1,3-benzoxazol-2-yl)a...)
Show SMILES Cc1ccc2oc(N=C(N)NC(=O)C(C)(C)C)nc2c1
Show InChI InChI=1S/C14H18N4O2/c1-8-5-6-10-9(7-8)16-13(20-10)18-12(15)17-11(19)14(2,3)4/h5-7H,1-4H3,(H3,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62279
PNG
(2-hydroxybenzoic acid [2-[2,5-dimethyl-1-(2-thenyl...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1
Show InChI InChI=1S/C20H19NO4S/c1-13-10-17(14(2)21(13)11-15-6-5-9-26-15)19(23)12-25-20(24)16-7-3-4-8-18(16)22/h3-10,22H,11-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54367
PNG
(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1
Show InChI InChI=1S/C22H20N4O4S/c1-13(23-14-8-10-15(29-2)11-9-14)20-17(12-19(27)30-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)31-22/h4-11,25H,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62278
PNG
(2-bromobenzoic acid [2-[1-(2-methoxyethyl)-2,5-dim...)
Show SMILES COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C
Show InChI InChI=1S/C18H20BrNO4/c1-12-10-15(13(2)20(12)8-9-23-3)17(21)11-24-18(22)14-6-4-5-7-16(14)19/h4-7,10H,8-9,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54356
PNG
(2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62273
PNG
(2,4-dimethylbenzoic acid [(Z)-[amino(2-pyridinyl)m...)
Show SMILES Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(C)c1
Show InChI InChI=1S/C15H15N3O2/c1-10-6-7-12(11(2)9-10)15(19)20-18-14(16)13-5-3-4-8-17-13/h3-9H,1-2H3,(H2,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62271
PNG
(MLS-0378444.0001 | N-[1-(3,4-dimethylphenyl)-4,5,6...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1
Show InChI InChI=1S/C21H25N5O/c1-13-8-9-16(10-14(13)2)26-19-7-5-6-18(17(19)12-22-26)23-21(27)20-11-15(3)24-25(20)4/h8-12,18H,5-7H2,1-4H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54409
PNG
(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C26H26N2O3/c1-2-31-26(30)22-11-13-24(14-12-22)27-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-23(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 140n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62269
PNG
(MLS-0384970.0001 | N-[1-(2,3-dimethylphenyl)-4,5,6...)
Show SMILES CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
Show InChI InChI=1S/C22H27N5O/c1-5-16-12-21(26(4)25-16)22(28)24-18-9-7-11-20-17(18)13-23-27(20)19-10-6-8-14(2)15(19)3/h6,8,10,12-13,18H,5,7,9,11H2,1-4H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 179n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62233
PNG
(4-chloranyl-N-(2-methyl-5-nitro-phenyl)-1-oxidanyl...)
Show SMILES Cc1ccc(cc1NC(=O)c1cc(Cl)c2ccccc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O4/c1-10-6-7-11(21(24)25)8-16(10)20-18(23)14-9-15(19)12-4-2-3-5-13(12)17(14)22/h2-9,22H,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 206n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM50312
PNG
(2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...)
Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1
Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 230n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62251
PNG
(MLS-0412140.0001 | cid_44182145 | cyclopropyl-[2-m...)
Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O5S/c1-16-14-18-15-21(8-9-22(18)26(16)23(28)17-2-3-17)33(31,32)25-12-10-24(11-13-25)19-4-6-20(7-5-19)27(29)30/h4-9,15-17H,2-3,10-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 236n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62265
PNG
(2-(4-tert-butylphenyl)-1,3-benzothiazole | MLS-041...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 246n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62261
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...)
Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H24N2OS/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 372n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62277
PNG
(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Show SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H15N4O4S/c1-2-24-14-9-5-6-11(15(14)21)10-17-19-16(25)18-12-7-3-4-8-13(12)20(22)23/h3-10H,2H2,1H3,(H2,18,19,25)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 414n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM50279
PNG
(2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-benz...)
Show SMILES COC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C16H10FN3O2S2/c1-22-14(21)8-2-4-10-12(6-8)23-15(18-10)20-16-19-11-5-3-9(17)7-13(11)24-16/h2-7H,1H3,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 462n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54413
PNG
(CHEMBL1612423 | MLS001202690 | N-(4-Chloro-phenyl)...)
Show SMILES Clc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H21ClN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 491n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62249
PNG
(1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3S/c1-3-22(27)26-16(2)14-17-15-20(8-9-21(17)26)30(28,29)25-12-10-24(11-13-25)19-6-4-18(23)5-7-19/h4-9,15-16H,3,10-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 584n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62232
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pip...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 616n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM41612
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-mor...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C27H29N3O4S/c31-27(28-25-9-11-26(12-10-25)35(32,33)30-15-17-34-18-16-30)23-7-5-21(6-8-23)19-29-14-13-22-3-1-2-4-24(22)20-29/h1-12H,13-20H2,(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 627n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62234
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyr...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C27H29N3O3S/c31-27(28-25-11-13-26(14-12-25)34(32,33)30-16-3-4-17-30)23-9-7-21(8-10-23)19-29-18-15-22-5-1-2-6-24(22)20-29/h1-2,5-14H,3-4,15-20H2,(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 639n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62295
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...)
Show SMILES COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H24N2O2/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 650n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54484
PNG
(MLS001122505 | N-[1-(2,3-dimethylphenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
Show InChI InChI=1S/C21H25N5O/c1-13-7-5-9-18(15(13)3)26-19-10-6-8-17(16(19)12-22-26)23-21(27)20-11-14(2)24-25(20)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 703n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62281
PNG
(3-hydroxybenzoic acid [2-[1-(2-methoxyethyl)-2,5-d...)
Show SMILES COCCn1c(C)cc(C(=O)COC(=O)c2cccc(O)c2)c1C
Show InChI InChI=1S/C18H21NO5/c1-12-9-16(13(2)19(12)7-8-23-3)17(21)11-24-18(22)14-5-4-6-15(20)10-14/h4-6,9-10,20H,7-8,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 704n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62270
PNG
(MLS-0380219.0001 | N-[1-(2,4-difluorophenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
Show InChI InChI=1S/C18H17F2N5O/c1-24-17(7-8-21-24)18(26)23-14-3-2-4-15-12(14)10-22-25(15)16-6-5-11(19)9-13(16)20/h5-10,14H,2-4H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 712n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62280
PNG
(2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...)
Show SMILES FC(F)(F)c1ccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C21H14F3N3O2S2/c22-21(23,24)13-6-8-14(9-7-13)25-16(28)11-31-20-26-18(29)17-15(10-30-19(17)27-20)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,28)(H,26,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 752n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM50100134
PNG
(2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...)
Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
n/an/a 762n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62231
PNG
(MLS-0412034.0001 | N-(4-chloranyl-3-nitro-phenyl)-...)
Show SMILES Oc1c(ccc2ccccc12)C(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O4/c18-14-8-6-11(9-15(14)20(23)24)19-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 870n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM46401
PNG
(1-(2-nitrophenyl)-3-[[(E)-(6-oxidanylidene-4-propo...)
Show SMILES CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1
Show InChI InChI=1S/C17H17N4O4S/c1-2-9-25-13-8-7-12(16(22)10-13)11-18-20-17(26)19-14-5-3-4-6-15(14)21(23)24/h3-8,10-11H,2,9H2,1H3,(H2,19,20,26)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 880n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54495
PNG
(4-tert-butylbenzoic acid [(Z)-[amino(2-pyridinyl)m...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccn1
Show InChI InChI=1S/C17H19N3O2/c1-17(2,3)13-9-7-12(8-10-13)16(21)22-20-15(18)14-6-4-5-11-19-14/h4-11H,1-3H3,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 952n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62340
PNG
(MLS-0425706.0001 | N-[(4S)-1-(2-fluorophenyl)-4,5,...)
Show SMILES Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C18H18FN5O/c1-23-17(9-10-20-23)18(25)22-14-6-4-8-15-12(14)11-21-24(15)16-7-3-2-5-13(16)19/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 994n/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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM48658
PNG
(3-amyl-7-(4-piperonylpiperazine-1-carbonyl)-1H-qui...)
Show SMILES CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H30N4O5/c1-2-3-4-9-30-25(32)20-7-6-19(15-21(20)27-26(30)33)24(31)29-12-10-28(11-13-29)16-18-5-8-22-23(14-18)35-17-34-22/h5-8,14-15H,2-4,9-13,16-17H2,1H3,(H,27,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62338
PNG
(MLS-0425704.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.36E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54409
PNG
(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C26H26N2O3/c1-2-31-26(30)22-11-13-24(14-12-22)27-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-23(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62268
PNG
(MLS-0377038.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cc1cc(nn1C)C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H29N5O/c1-15-13-20(26-27(15)5)22(29)25-19-7-6-8-21-18(19)14-24-28(21)17-11-9-16(10-12-17)23(2,3)4/h9-14,19H,6-8H2,1-5H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.44E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62302
PNG
(MLS-0425608.0001 | N-(4-bromophenyl)-4-(3,4-dihydr...)
Show SMILES Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H21BrN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62274
PNG
(4-tert-butylbenzoic acid [(Z)-[amino(phenyl)methyl...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccc1
Show InChI InChI=1S/C18H20N2O2/c1-18(2,3)15-11-9-14(10-12-15)17(21)22-20-16(19)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.51E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62250
PNG
(1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.63E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62286
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(di...)
Show SMILES CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C25H27N3O/c1-27(2)24-13-11-23(12-14-24)26-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-22(20)18-28/h3-14H,15-18H2,1-2H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.83E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54518
PNG
(2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...)
Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1
Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.96E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM59544
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C25H26N2O2/c1-2-29-24-13-11-23(12-14-24)26-25(28)21-9-7-19(8-10-21)17-27-16-15-20-5-3-4-6-22(20)18-27/h3-14H,2,15-18H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.05E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54451
PNG
(3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanylmeth...)
Show SMILES CN(C)S(=O)(=O)c1cccc(CSCc2cccc(c2)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C18H24N2O4S3/c1-19(2)26(21,22)17-9-5-7-15(11-17)13-25-14-16-8-6-10-18(12-16)27(23,24)20(3)4/h5-12H,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.09E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54513
PNG
(3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin...)
Show SMILES Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O5S/c1-15-3-4-17(20-13-16(2)22-30-20)14-21(15)31(28,29)24-11-9-23(10-12-24)18-5-7-19(8-6-18)25(26)27/h3-8,13-14H,9-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.11E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.20E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM62300
PNG
(2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-ben...)
Show SMILES OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2CCCCc12
Show InChI InChI=1S/C16H14BrNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.25E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54453
PNG
(1-phenylethyl(thieno[2,3-d]pyrimidin-4-yl)amine | ...)
Show SMILES CC(Nc1ncnc2sccc12)c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10(11-5-3-2-4-6-11)17-13-12-7-8-18-14(12)16-9-15-13/h2-10H,1H3,(H,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.35E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 304 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%