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BDBM50197996 3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yloxy)-N-(6-(diethylamino)hexan-3-yl)propanamide::CHEMBL391662

SMILES: CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=OJSYDGKOJKXORO-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50197996   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197996
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10|
Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39)
PDB

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UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197996
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10|
Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CCR2


Eur J Med Chem 45: 3394-406 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197996
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10|
Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair