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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 = 'BDBM50518107'   
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))
BDBM50518107
PNG
(CHEMBL4464639)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)c(C)c1 |c:3|
Show InChI InChI=1S/C20H25NO3/c1-12-9-10-16(11-13(12)2)21-18(15-7-5-4-6-8-15)17(14(3)22)19(23)20(21)24/h9-11,15,18,23H,4-8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50518107
PNG
(CHEMBL4464639)
Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)c(C)c1 |c:3|
Show InChI InChI=1S/C20H25NO3/c1-12-9-10-16(11-13(12)2)21-18(15-7-5-4-6-8-15)17(14(3)22)19(23)20(21)24/h9-11,15,18,23H,4-8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...


J Med Chem 61: 9146-9161 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00605
BindingDB Entry DOI: 10.7270/Q2222Z5H
More data for this
Ligand-Target Pair