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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50518092'   
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))
BDBM50518092
PNG
(CHEMBL4439854)
Show SMILES OC1=C(C(N(C1=O)c1ccc(Br)cc1F)c1cccc(Br)c1)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2
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PC cid
PC sid
UniChem
Article
PubMed
50n/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))
BDBM50518092
PNG
(CHEMBL4439854)
Show SMILES OC1=C(C(N(C1=O)c1ccc(Br)cc1F)c1cccc(Br)c1)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2
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PC cid
PC sid
UniChem
Article
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50n/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))
BDBM50518092
PNG
(CHEMBL4439854)
Show SMILES OC1=C(C(N(C1=O)c1ccc(Br)cc1F)c1cccc(Br)c1)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2
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PC sid
UniChem
Article
PubMed
n/an/a 8.51E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Antagonist activity at human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor assess...


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))
BDBM50518092
PNG
(CHEMBL4439854)
Show SMILES OC1=C(C(N(C1=O)c1ccc(Br)cc1F)c1cccc(Br)c1)C(=O)C1CC1 |t:1|
Show InChI InChI=1S/C20H14Br2FNO3/c21-12-3-1-2-11(8-12)17-16(18(25)10-4-5-10)19(26)20(27)24(17)15-7-6-13(22)9-14(15)23/h1-3,6-10,17,26H,4-5H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.64E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Antagonist activity at human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor assess...


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