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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50190523'   
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 2


(Homo sapiens (Human))
BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2


J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization


J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair