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BDBM50247950 (R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-2-yl)propylamino)-1,2,5-thiadiazol-3-ylamino)benzamide::CHEMBL518201

SMILES: CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1

InChI Key: InChIKey=WRHSNCBRDMVLKY-CYBMUJFWSA-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 = 50247950   
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))
BDBM50247950
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 |r|
Show InChI InChI=1S/C19H23N5O3S/c1-5-13(15-10-9-11(2)27-15)20-17-18(23-28-22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-/m1/s1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
13n/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))
BDBM50247950
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 |r|
Show InChI InChI=1S/C19H23N5O3S/c1-5-13(15-10-9-11(2)27-15)20-17-18(23-28-22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.00E+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