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BDBM50463604 CHEMBL4251268

SMILES: FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccncc2)nc1

InChI Key: InChIKey=HKZHEMPZBMPOMP-XUTJKUGGSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463604   
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 6


(Homo sapiens (Human))		BDBM50463604
PNG
(CHEMBL4251268)
Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccncc2)nc1 |r,wU:12.15,wD:9.8,(3.02,-35.92,;4.35,-35.15,;3.57,-33.82,;5.11,-33.82,;5.68,-35.92,;7.01,-35.15,;8.35,-35.92,;8.35,-37.47,;9.69,-38.24,;11.02,-37.46,;12.35,-38.24,;13.68,-37.48,;13.68,-35.94,;12.35,-35.16,;11.01,-35.93,;15.02,-35.17,;14.24,-33.82,;15.78,-33.82,;16.35,-35.94,;16.34,-37.48,;17.67,-38.25,;19.01,-37.49,;19.01,-35.94,;17.67,-35.17,;20.34,-38.26,;20.33,-39.8,;21.66,-40.57,;23,-39.8,;23,-38.25,;21.66,-37.49,;7.01,-38.24,;5.68,-37.47,)|
Show InChI InChI=1S/C23H22F3N3O2S/c24-23(25,26)18-3-10-22(28-15-18)29-19-4-8-21(9-5-19)32(30,31)20-6-1-16(2-7-20)17-11-13-27-14-12-17/h1-3,6-7,10-15,19,21H,4-5,8-9H2,(H,28,29)/t19-,21-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubate...

Bioorg Med Chem Lett 28: 3067-3072 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP
More data for this
Ligand-Target Pair