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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Target Names &
Ki
IC50
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 484.6
BDBM50578294
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
10
hits in this display
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
C-C chemokine receptor type 2
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.800
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
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
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [125I]MIP-1beta from CCR5 in human peripheral T cells
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at CCR2 in human whole blood assessed as inhibition of CCL2-induced CD11b upregulation
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at CCR5 in human whole blood assessed as inhibition of MIP-1beta-induced CD11b upregulation
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [125I]-CCL2 from CCR2 in human PBMC cells
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2
(Mus musculus)
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
45
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [125I]-CCL2 from mouse CCR2
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP-1 cells incubated for 12 hrs by radioligand competition assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [125I]chemokine from CCR4 (unknown origin) by gamma counter method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2
(Homo sapiens (Human))
BDBM50578294
(Bms 813160 | Bms-813160)
Show SMILES
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [125I]-interleukin-8 from human CXCR2 expressed in human pEAK rapid cells incubated for 90 mins by microscintillation counting analys...
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI:
10.7270/Q2M04981
More data for this
Ligand-Target Pair