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BDBM50248590 (R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL461816

SMILES: CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1

InChI Key: InChIKey=VYNNVKYGDFKCFE-OAHLLOKOSA-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 = 50248590   
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))
BDBM50248590
PNG
((R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H21F2N5O2S/c1-4-15(11-8-12(21)10-13(22)9-11)23-18-19(26-30-25-18)24-16-7-5-6-14(17(16)28)20(29)27(2)3/h5-10,15,28H,4H2,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
20n/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))
BDBM50248590
PNG
((R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H21F2N5O2S/c1-4-15(11-8-12(21)10-13(22)9-11)23-18-19(26-30-25-18)24-16-7-5-6-14(17(16)28)20(29)27(2)3/h5-10,15,28H,4H2,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.10E+3n/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