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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 = 'BDBM50518078'   
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))
BDBM50518078
PNG
(CHEMBL4569870)
Show SMILES Cc1ccc(cc1)N1C(C2CCCCC2)C(C(=O)C(C)(C)C)=C(O)C1=O |t:23|
Show InChI InChI=1S/C22H29NO3/c1-14-10-12-16(13-11-14)23-18(15-8-6-5-7-9-15)17(19(24)21(23)26)20(25)22(2,3)4/h10-13,15,18,24H,5-9H2,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/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))
BDBM50518078
PNG
(CHEMBL4569870)
Show SMILES Cc1ccc(cc1)N1C(C2CCCCC2)C(C(=O)C(C)(C)C)=C(O)C1=O |t:23|
Show InChI InChI=1S/C22H29NO3/c1-14-10-12-16(13-11-14)23-18(15-8-6-5-7-9-15)17(19(24)21(23)26)20(25)22(2,3)4/h10-13,15,18,24H,5-9H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/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