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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 = 'BDBM50082673'   
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))
BDBM50082673
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCC(C#N)(N2CCCCC2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-25-12-10-24(11-13-25)27(32)15-20-30(21-16-27)17-7-14-26(22-29,23-8-3-1-4-9-23)31-18-5-2-6-19-31/h1,3-4,8-13,32H,2,5-7,14-21H2
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
130n/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))
BDBM50082673
PNG
(5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2...)
Show SMILES OC1(CCN(CCCC(C#N)(N2CCCCC2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c28-25-12-10-24(11-13-25)27(32)15-20-30(21-16-27)17-7-14-26(22-29,23-8-3-1-4-9-23)31-18-5-2-6-19-31/h1,3-4,8-13,32H,2,5-7,14-21H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.80E+3n/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