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BDBM61180 MLS000528436::N-[4-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-2-methoxy-benzamide::N-[4-[2-[2-(2-furanylmethylamino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-methoxybenzamide::N-[4-[2-[2-(2-furfurylamino)-2-keto-ethyl]tetrazol-5-yl]phenyl]-2-methoxy-benzamide::N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]phenyl]-2-methoxy-benzamide::N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-methoxybenzamide::SMR000121011::cid_1452563

SMILES: COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1

InChI Key: InChIKey=NZJHHLLTJRLKHY-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 61180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM61180
PNG
(MLS000528436 | N-[4-(2-{[(Furan-2-ylmethyl)-carbam...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C22H20N6O4/c1-31-19-7-3-2-6-18(19)22(30)24-16-10-8-15(9-11-16)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
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n/an/a 2.72E+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/Q2V986G8
More data for this
Ligand-Target Pair
EBNA-1 protein


(Human herpesvirus 4)
BDBM61180
PNG
(MLS000528436 | N-[4-(2-{[(Furan-2-ylmethyl)-carbam...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C22H20N6O4/c1-31-19-7-3-2-6-18(19)22(30)24-16-10-8-15(9-11-16)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
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n/an/a 608n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GXC
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM61180
PNG
(MLS000528436 | N-[4-(2-{[(Furan-2-ylmethyl)-carbam...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C22H20N6O4/c1-31-19-7-3-2-6-18(19)22(30)24-16-10-8-15(9-11-16)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
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n/an/a 1.11E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957MN
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61180
PNG
(MLS000528436 | N-[4-(2-{[(Furan-2-ylmethyl)-carbam...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C22H20N6O4/c1-31-19-7-3-2-6-18(19)22(30)24-16-10-8-15(9-11-16)21-25-27-28(26-21)14-20(29)23-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)
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n/an/a 1.18E+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/Q2BP0175
More data for this
Ligand-Target Pair