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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50401348'   
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
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
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MCE
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PC sid
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
PDB

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CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
PDB

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antibodypedia
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 850n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401348
PNG
(CHEMBL593442)
Show SMILES Cc1ccnc2c1ccc1c(C)ccnc21
Show InChI InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 794n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...


J Med Chem 55: 8164-77 (2012)


Article DOI: 10.1021/jm301121j
BindingDB Entry DOI: 10.7270/Q2Q81F7S
More data for this
Ligand-Target Pair