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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 = 'BDBM50401347'   
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))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
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CHEMBL
MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.58E+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))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.71E+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))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.50E+3n/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))
BDBM50401347
PNG
(CHEMBL99384)
Show SMILES Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C
Show InChI InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.58E+3n/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