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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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85%
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Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
14
hits with Last Name = 'jarusiewicz' and Initial = 'ja'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Protein cereblon
(Homo sapiens (Human))
BDBM50586185
(CHEMBL5090416)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.0200
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586179
(CHEMBL4744617)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCN2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.310
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586184
(CHEMBL5078429)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.450
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586180
(CHEMBL5082689)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCNc2cccc(c2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586176
(CHEMBL4742130)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586177
(CHEMBL5090604)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586187
(CHEMBL5074539)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCC3(CC2)CCN(CC3)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586182
(CHEMBL5073737)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2cccc(c2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
19
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586181
(CHEMBL5082136)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586178
(CHEMBL5092577)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586186
(CHEMBL5077200)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CC3CC2CN3c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
24
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Protein cereblon
(Homo sapiens (Human))
BDBM50586183
(CHEMBL5094176)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.05E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50586185
(CHEMBL5090416)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.0220
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to JAK2 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50586181
(CHEMBL5082136)
Show SMILES
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.140
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to JAK2 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00650
BindingDB Entry DOI:
10.7270/Q2D79GBF
More data for this
Ligand-Target Pair
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