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BDBM50248114 (R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropylfuran-2-yl)-2,2-dimethylpropylamino)-1,2,5-thiadiazol-3-ylamino)-N-methylbenzamide::CHEMBL462156

SMILES: CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C

InChI Key: InChIKey=WYWJXUDCXPYMIQ-NRFANRHFSA-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 = 50248114   
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))
BDBM50248114
PNG
((R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropy...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C25H32N6O3S/c1-15(2)16-13-19(34-14-16)21(25(3,4)5)28-23-22(29-35-30-23)27-18-10-7-9-17(20(18)32)24(33)31(6)12-8-11-26/h7,9-10,13-15,21,32H,8,12H2,1-6H3,(H,27,29)(H,28,30)/t21-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
34n/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))
BDBM50248114
PNG
((R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropy...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C25H32N6O3S/c1-15(2)16-13-19(34-14-16)21(25(3,4)5)28-23-22(29-35-30-23)27-18-10-7-9-17(20(18)32)24(33)31(6)12-8-11-26/h7,9-10,13-15,21,32H,8,12H2,1-6H3,(H,27,29)(H,28,30)/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79n/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