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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 = 'BDBM78848'   
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))
BDBM78848
PNG
(IK-LW | MLS000562543 | SMR000391070 | cid_16196648)
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)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-35-43(61-63-68)46(54)37(5)7-2)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-34-42(60-62-69)40(53)31-36(3)4;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.07E+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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78848
PNG
(IK-LW | MLS000562543 | SMR000391070 | cid_16196648)
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)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-35-43(61-63-68)46(54)37(5)7-2)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-34-42(60-62-69)40(53)31-36(3)4;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
PDB
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.45E+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