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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 10' and Ligand = 'BDBM50198998'   
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))
BDBM50198998
PNG
(CHEMBL3964547)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1ccnc1Cl)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C19H24Cl3N5O3S/c1-12-2-6-26(7-3-12)18(28)16(4-8-27-9-5-24-19(27)22)25-31(29,30)13-10-14(20)17(23)15(21)11-13/h5,9-12,16,25H,2-4,6-8,23H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in mouse BA/F3 cells assessed as inhibition of human CCL27-dependent chemotaxis


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


(Homo sapiens (Human))
BDBM50198998
PNG
(CHEMBL3964547)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1ccnc1Cl)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C19H24Cl3N5O3S/c1-12-2-6-26(7-3-12)18(28)16(4-8-27-9-5-24-19(27)22)25-31(29,30)13-10-14(20)17(23)15(21)11-13/h5,9-12,16,25H,2-4,6-8,23H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/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)
BDBM50198998
PNG
(CHEMBL3964547)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1ccnc1Cl)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C19H24Cl3N5O3S/c1-12-2-6-26(7-3-12)18(28)16(4-8-27-9-5-24-19(27)22)25-31(29,30)13-10-14(20)17(23)15(21)11-13/h5,9-12,16,25H,2-4,6-8,23H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<2.00E+4n/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