BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.1
BDBM50117400

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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 1


(Homo sapiens (Human))
BDBM50117400
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OCCCCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H42ClN3O3/c34-30-16-14-29(15-17-30)33(40)19-23-37(24-20-33)22-9-18-32(27-10-3-1-4-11-27,28-12-5-2-6-13-28)26-36-31(39)35-21-7-8-25-38/h1-6,10-17,38,40H,7-9,18-26H2,(H2,35,36,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117400
PNG
(1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OCCCCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H42ClN3O3/c34-30-16-14-29(15-17-30)33(40)19-23-37(24-20-33)22-9-18-32(27-10-3-1-4-11-27,28-12-5-2-6-13-28)26-36-31(39)35-21-7-8-25-38/h1-6,10-17,38,40H,7-9,18-26H2,(H2,35,36,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.95E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair