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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 10' and Ligand = 'BDBM50198919'   
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 10


(Homo sapiens (Human))
BDBM50198919
PNG
(CHEMBL3919363)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1nccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C20H24Cl2N6O3S/c1-13-3-7-27(8-4-13)20(29)18(5-9-28-14(12-23)2-6-25-28)26-32(30,31)15-10-16(21)19(24)17(22)11-15/h2,6,10-11,13,18,26H,3-5,7-9,24H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Mus musculus)
BDBM50198919
PNG
(CHEMBL3919363)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1nccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C20H24Cl2N6O3S/c1-13-3-7-27(8-4-13)20(29)18(5-9-28-14(12-23)2-6-25-28)26-32(30,31)15-10-16(21)19(24)17(22)11-15/h2,6,10-11,13,18,26H,3-5,7-9,24H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of CCL27-dependent calcium flux in p...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair