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BDBM50248036 (S)-2-hydroxy-N,N-dimethyl-3-(4-(2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethylamino)-1,2,5-thiadiazol-3-ylamino)benzamide::CHEMBL455430

SMILES: CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(F)(F)F)c1O

InChI Key: InChIKey=RRCQIPREKQKIMK-AWEZNQCLSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248036   
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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248036
PNG
((S)-2-hydroxy-N,N-dimethyl-3-(4-(2,2,2-trifluoro-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(F)(F)F)c1O |r|
Show InChI InChI=1S/C18H18F3N5O3S/c1-9-7-8-12(29-9)14(18(19,20)21)23-16-15(24-30-25-16)22-11-6-4-5-10(13(11)27)17(28)26(2)3/h4-8,14,27H,1-3H3,(H,22,24)(H,23,25)/t14-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
53n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248036
PNG
((S)-2-hydroxy-N,N-dimethyl-3-(4-(2,2,2-trifluoro-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(F)(F)F)c1O |r|
Show InChI InChI=1S/C18H18F3N5O3S/c1-9-7-8-12(29-9)14(18(19,20)21)23-16-15(24-30-25-16)22-11-6-4-5-10(13(11)27)17(28)26(2)3/h4-8,14,27H,1-3H3,(H,22,24)(H,23,25)/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair