BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50441686'   
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))
BDBM50441686
PNG
(CHEMBL2435904)
Show SMILES CC(C)N1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30n/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))
BDBM50441686
PNG
(CHEMBL2435904)
Show SMILES CC(C)N1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/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