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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 = 'BDBM50506148'   
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))
BDBM50506148
PNG
(CHEMBL4476551)
Show SMILES CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O/c1-2-4-12-11(8-9-5-3-6-10(16)7-9)13(22)21-15(18-12)19-14(17)20-21/h3,5-7H,2,4,8H2,1H3,(H3,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50506148
PNG
(CHEMBL4476551)
Show SMILES CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O/c1-2-4-12-11(8-9-5-3-6-10(16)7-9)13(22)21-15(18-12)19-14(17)20-21/h3,5-7H,2,4,8H2,1H3,(H3,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method


J Med Chem 62: 11035-11053 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00742
BindingDB Entry DOI: 10.7270/Q2QR51DD
More data for this
Ligand-Target Pair