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BDBM50227006 3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1,1-dioxo-1H-1lambda6-[1,2,5]thiadiazol-3-ylamino]-2-hydroxy-N,N-dimethyl-benzamide::CHEMBL253921

SMILES: CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O

InChI Key: InChIKey=BDLSEEFGQREQHH-INIZCTEOSA-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 = 50227006   
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))
BDBM50227006
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
11n/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))
BDBM50227006
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
61n/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