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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.7
BDBM50518195
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))
BDBM50518195
PNG
(CHEMBL4462565)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N4O/c1-11-16(24-25-26(11)15-7-5-14(19)6-8-15)17(27)23-10-12-3-2-4-13(9-12)18(20,21)22/h2-9H,10H2,1H3,(H,23,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...


Bioorg Med Chem Lett 29: 435-440 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.015
BindingDB Entry DOI: 10.7270/Q2D79FSV
More data for this
Ligand-Target Pair