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BDBM50508198 CHEMBL4437170

SMILES: CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1

InChI Key: InChIKey=QBCYWHLSAHDGHB-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508198   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50508198
PNG
(CHEMBL4437170)
Show SMILES CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3n(ncc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H19FN4O3S/c1-24-31(29,30)18-5-2-4-15(12-18)13-25-22(28)19-6-3-7-21-20(19)14-26-27(21)17-10-8-16(23)9-11-17/h2-12,14,24H,13H2,1H3,(H,25,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/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: 441-448 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.024
More data for this
Ligand-Target Pair