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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 5' and Ligand = 'BDBM50441708'   
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))
BDBM50441708
PNG
(CHEMBL2435848)
Show SMILES Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.300n/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))
BDBM50441708
PNG
(CHEMBL2435848)
Show SMILES Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.20n/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