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BDBM50248112 (R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide::CHEMBL518802

SMILES: CN(C)C(=O)c1c(O)c(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)ccc1C(F)(F)F

InChI Key: InChIKey=UXUIKTKXWYNOMQ-KRWDZBQOSA-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 = 50248112   
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))
BDBM50248112
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1c(O)c(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H26F3N5O3S/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29)/t17-/m0/s1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
38n/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))
BDBM50248112
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1c(O)c(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H26F3N5O3S/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
168n/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