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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 = 'BDBM50518087'   
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))
BDBM50518087
PNG
(CHEMBL4471583)
Show SMILES Cc1ccc(cc1)N1C(C2CCCCC2)C(C(=O)C2CC2)=C(O)C1=O |t:23|
Show InChI InChI=1S/C21H25NO3/c1-13-7-11-16(12-8-13)22-18(14-5-3-2-4-6-14)17(20(24)21(22)25)19(23)15-9-10-15/h7-8,11-12,14-15,18,24H,2-6,9-10H2,1H3
PDB

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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 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))
BDBM50518087
PNG
(CHEMBL4471583)
Show SMILES Cc1ccc(cc1)N1C(C2CCCCC2)C(C(=O)C2CC2)=C(O)C1=O |t:23|
Show InChI InChI=1S/C21H25NO3/c1-13-7-11-16(12-8-13)22-18(14-5-3-2-4-6-14)17(20(24)21(22)25)19(23)15-9-10-15/h7-8,11-12,14-15,18,24H,2-6,9-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/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