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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-conjugating enzyme E2 N' and Ligand = 'BDBM79177'   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79177
PNG
(IK-IW | MLS000562580 | SMR000391074 | cid_25102366)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-26-72-28-30-74-31-29-73-27-17-55-49-57-50(66-22-18-64(19-23-66)47(70)43(15-11-12-16-52)68-34-41(60-62-68)45(53)36(4)7-2)59-51(58-49)67-24-20-65(21-25-67)48(71)44(33-39-32-38-13-9-10-14-40(38)56-39)69-35-42(61-63-69)46(54)37(5)8-3;/h1,9-10,13-14,32,34-37,43-46,56H,7-8,11-12,15-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t36?,37?,43-,44-,45-,46-;/m0./s1
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 2.47E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79177
PNG
(IK-IW | MLS000562580 | SMR000391074 | cid_25102366)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-26-72-28-30-74-31-29-73-27-17-55-49-57-50(66-22-18-64(19-23-66)47(70)43(15-11-12-16-52)68-34-41(60-62-68)45(53)36(4)7-2)59-51(58-49)67-24-20-65(21-25-67)48(71)44(33-39-32-38-13-9-10-14-40(38)56-39)69-35-42(61-63-69)46(54)37(5)8-3;/h1,9-10,13-14,32,34-37,43-46,56H,7-8,11-12,15-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t36?,37?,43-,44-,45-,46-;/m0./s1
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.68E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair