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BDBM50227010 3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino]-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino}-2-hydroxy-N,N-dimethyl-benzamide::CHEMBL402144

SMILES: CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1

InChI Key: InChIKey=FXZPQNIHNJKMLA-WYXXSATOSA-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 = 50227010   
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227010
PNG
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1
Show InChI InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227010
PNG
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1
Show InChI InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
4.01E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair