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BDBM50197977 4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yl)-N-(3-(pyridin-4-yl)propyl)butanamide::CHEMBL392493

SMILES: Clc1cc(Cl)cc(c1)-c1cc(CCCC(=O)NCCCc2ccncc2)n(n1)-c1ccc2ccccc2c1

InChI Key: InChIKey=NDZSILKFSNYFNX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50197977   
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))
BDBM50197977
PNG
(4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES Clc1cc(Cl)cc(c1)-c1cc(CCCC(=O)NCCCc2ccncc2)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H28Cl2N4O/c32-26-17-25(18-27(33)20-26)30-21-28(37(36-30)29-11-10-23-6-1-2-7-24(23)19-29)8-3-9-31(38)35-14-4-5-22-12-15-34-16-13-22/h1-2,6-7,10-13,15-21H,3-5,8-9,14H2,(H,35,38)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.12E+3n/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))
BDBM50197977
PNG
(4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES Clc1cc(Cl)cc(c1)-c1cc(CCCC(=O)NCCCc2ccncc2)n(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H28Cl2N4O/c32-26-17-25(18-27(33)20-26)30-21-28(37(36-30)29-11-10-23-6-1-2-7-24(23)19-29)8-3-9-31(38)35-14-4-5-22-12-15-34-16-13-22/h1-2,6-7,10-13,15-21H,3-5,8-9,14H2,(H,35,38)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/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