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BDBM50197991 3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yloxy)-N-(1-(diethylamino)-6-methyloctan-4-yl)propanamide::CHEMBL239170

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

InChI Key: InChIKey=LOUSLMDIWLUSPD-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50197991   
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))
BDBM50197991
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:5.13,2.2|
Show InChI InChI=1S/C35H44Cl2N4O2/c1-5-25(4)19-31(13-10-17-40(6-2)7-3)38-34(42)16-18-43-35-24-33(28-20-29(36)23-30(37)21-28)39-41(35)32-15-14-26-11-8-9-12-27(26)22-32/h8-9,11-12,14-15,20-25,31H,5-7,10,13,16-19H2,1-4H3,(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 225n/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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197991
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:5.13,2.2|
Show InChI InChI=1S/C35H44Cl2N4O2/c1-5-25(4)19-31(13-10-17-40(6-2)7-3)38-34(42)16-18-43-35-24-33(28-20-29(36)23-30(37)21-28)39-41(35)32-15-14-26-11-8-9-12-27(26)22-32/h8-9,11-12,14-15,20-25,31H,5-7,10,13,16-19H2,1-4H3,(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 107n/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))
BDBM50197991
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:5.13,2.2|
Show InChI InChI=1S/C35H44Cl2N4O2/c1-5-25(4)19-31(13-10-17-40(6-2)7-3)38-34(42)16-18-43-35-24-33(28-20-29(36)23-30(37)21-28)39-41(35)32-15-14-26-11-8-9-12-27(26)22-32/h8-9,11-12,14-15,20-25,31H,5-7,10,13,16-19H2,1-4H3,(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 107n/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