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SMILES: Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl

InChI Key: InChIKey=IXACLKNSEGSKGF-INIZCTEOSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50385457   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50385457
PNG
(CHEMBL2036774)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1
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Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385457
PNG
(CHEMBL2036774)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1
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n/an/a 267n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50385457
PNG
(CHEMBL2036774)
Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl |r|
Show InChI InChI=1S/C19H26Cl2N4O2/c20-17-4-1-14(11-18(17)21)22-19(26)24-7-5-23(6-8-24)12-16-13-25(9-10-27-16)15-2-3-15/h1,4,11,15-16H,2-3,5-10,12-13H2,(H,22,26)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 262n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis


Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair