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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Monomerid = 50143751   
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 5


(Homo sapiens (Human))
BDBM50143751
PNG
((4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-...)
Show SMILES CC1(CCN(CC1)C(=O)c1cccc2[nH]ccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O/c1-32(18-23-34(24-19-32)31(37)29-13-8-14-30-28(29)15-20-33-30)35-21-16-27(17-22-35)36(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-15,20,27,33H,16-19,21-24H2,1H3
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Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against human C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143751
PNG
((4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-...)
Show SMILES CC1(CCN(CC1)C(=O)c1cccc2[nH]ccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O/c1-32(18-23-34(24-19-32)31(37)29-13-8-14-30-28(29)15-20-33-30)35-21-16-27(17-22-35)36(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-15,20,27,33H,16-19,21-24H2,1H3
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against monkey C-C chemokine receptor type 5.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50143751
PNG
((4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-...)
Show SMILES CC1(CCN(CC1)C(=O)c1cccc2[nH]ccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O/c1-32(18-23-34(24-19-32)31(37)29-13-8-14-30-28(29)15-20-33-30)35-21-16-27(17-22-35)36(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-15,20,27,33H,16-19,21-24H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.


J Med Chem 47: 1939-55 (2004)


Article DOI: 10.1021/jm031046g
BindingDB Entry DOI: 10.7270/Q2V12478
More data for this
Ligand-Target Pair