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SMILES: CCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1

InChI Key: InChIKey=CIVHCWKAUJYNDC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50518098   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50518098
PNG
(CHEMBL4513770)
Show SMILES CCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C20H25NO3/c1-3-16(22)17-18(14-7-5-4-6-8-14)21(20(24)19(17)23)15-11-9-13(2)10-12-15/h9-12,14,18,23H,3-8H2,1-2H3
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
30n/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 2


(Homo sapiens (Human))
BDBM50518098
PNG
(CHEMBL4513770)
Show SMILES CCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C20H25NO3/c1-3-16(22)17-18(14-7-5-4-6-8-14)21(20(24)19(17)23)15-11-9-13(2)10-12-15/h9-12,14,18,23H,3-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
102n/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 1


(Homo sapiens (Human))
BDBM50518098
PNG
(CHEMBL4513770)
Show SMILES CCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C20H25NO3/c1-3-16(22)17-18(14-7-5-4-6-8-14)21(20(24)19(17)23)15-11-9-13(2)10-12-15/h9-12,14,18,23H,3-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/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 2


(Homo sapiens (Human))
BDBM50518098
PNG
(CHEMBL4513770)
Show SMILES CCC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C20H25NO3/c1-3-16(22)17-18(14-7-5-4-6-8-14)21(20(24)19(17)23)15-11-9-13(2)10-12-15/h9-12,14,18,23H,3-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
104n/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