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SMILES: CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1

InChI Key: InChIKey=SEVIDRCPHNOAJR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185976   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50185976
PNG
(CHEMBL205706 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(...)
Show SMILES CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.20n/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))
BDBM50185976
PNG
(CHEMBL205706 | N-(3,4-dichlorophenyl)-N-(3-{4-[4-(...)
Show SMILES CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
Show InChI InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/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