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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 = 'BDBM50082690'   
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))
BDBM50082690
PNG
(11-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES CN1c2ccccc2C(CCCN2CCC(O)(CC2)c2ccc(Cl)cc2)(C#N)c2ccccc2C1=O
Show InChI InChI=1S/C30H30ClN3O2/c1-33-27-10-5-4-9-26(27)29(21-32,25-8-3-2-7-24(25)28(33)35)15-6-18-34-19-16-30(36,17-20-34)22-11-13-23(31)14-12-22/h2-5,7-14,36H,6,15-20H2,1H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
32n/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))
BDBM50082690
PNG
(11-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES CN1c2ccccc2C(CCCN2CCC(O)(CC2)c2ccc(Cl)cc2)(C#N)c2ccccc2C1=O
Show InChI InChI=1S/C30H30ClN3O2/c1-33-27-10-5-4-9-26(27)29(21-32,25-8-3-2-7-24(25)28(33)35)15-6-18-34-19-16-30(36,17-20-34)22-11-13-23(31)14-12-22/h2-5,7-14,36H,6,15-20H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.30E+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