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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 = 'BDBM50185980'   
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))
BDBM50185980
PNG
(CHEMBL207485 | N-{3-[4-(4-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-24(12-18-34)29(37)35(25-7-8-26(30)27(31)20-25)14-2-13-33-15-9-22(10-16-33)19-21-3-5-23(6-4-21)28(32)36/h3-8,20,22,24H,2,9-19H2,1H3,(H2,32,36)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50185980
PNG
(CHEMBL207485 | N-{3-[4-(4-carbamoylbenzyl)piperidi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-24(12-18-34)29(37)35(25-7-8-26(30)27(31)20-25)14-2-13-33-15-9-22(10-16-33)19-21-3-5-23(6-4-21)28(32)36/h3-8,20,22,24H,2,9-19H2,1H3,(H2,32,36)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells


J Med Chem 49: 2784-93 (2006)


Article DOI: 10.1021/jm051034q
BindingDB Entry DOI: 10.7270/Q2ZK5G8F
More data for this
Ligand-Target Pair