BindingDB logo
myBDB logout

BDBM50350064 CHEMBL1813435

SMILES: CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1

InChI Key: InChIKey=VCXYEFOPDLYZSY-LOYHVIPDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50350064   
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))
BDBM50350064
PNG
(CHEMBL1813435)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization


Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50350064
PNG
(CHEMBL1813435)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair