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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 1' and Ligand = 'BDBM50518099'   
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 1


(Homo sapiens (Human))
BDBM50518099
PNG
(CHEMBL4461627)
Show SMILES CCCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1 |c:5|
Show InChI InChI=1S/C21H27NO3/c1-3-7-17(23)18-19(15-8-5-4-6-9-15)22(21(25)20(18)24)16-12-10-14(2)11-13-16/h10-13,15,19,24H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/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 CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


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 1


(Homo sapiens (Human))
BDBM50518099
PNG
(CHEMBL4461627)
Show SMILES CCCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1 |c:5|
Show InChI InChI=1S/C21H27NO3/c1-3-7-17(23)18-19(15-8-5-4-6-9-15)22(21(25)20(18)24)16-12-10-14(2)11-13-16/h10-13,15,19,24H,3-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/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 CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...


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