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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 1' and Ligand = 'BDBM50082667'   
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))
BDBM50082667
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O/c28-25-13-11-24(12-14-25)27(31)16-19-30(20-17-27)18-15-26(21-29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,31H,15-20H2
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
4.06E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells


J Med Chem 42: 4680-94 (1999)


BindingDB Entry DOI: 10.7270/Q2125TCC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50082667
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O/c28-25-13-11-24(12-14-25)27(31)16-19-30(20-17-27)18-15-26(21-29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,31H,15-20H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 400n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of MIP-1-alpha-induced intracellular calcium mobilization in HEK293 cells expressing human CCR1 receptor


J Med Chem 42: 4680-94 (1999)


BindingDB Entry DOI: 10.7270/Q2125TCC
More data for this
Ligand-Target Pair