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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50441690   
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))
BDBM50441690
PNG
(CHEMBL2435863)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441690
PNG
(CHEMBL2435863)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50441690
PNG
(CHEMBL2435863)
Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Displacement of [125I]-RANTES from CCR5 (unknown origin) expressed in HEK293F cell membranes after 45 mins by microbeta jet liquid scintillation coun...


J Med Chem 56: 8049-65 (2013)


Article DOI: 10.1021/jm401101p
BindingDB Entry DOI: 10.7270/Q2445NX3
More data for this
Ligand-Target Pair