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BDBM50248403 (S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL523769

SMILES: CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F

InChI Key: InChIKey=QQQUUPHVVBLGTA-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 = 50248403   
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))
BDBM50248403
PNG
((S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)pr...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F
Show InChI InChI=1S/C23H25F2N3O5/c1-11(2)12-9-15(33-10-12)21(23(3,24)25)27-17-16(19(30)20(17)31)26-14-8-6-7-13(18(14)29)22(32)28(4)5/h6-11,21,26-27,29H,1-5H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248403
PNG
((S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)pr...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F
Show InChI InChI=1S/C23H25F2N3O5/c1-11(2)12-9-15(33-10-12)21(23(3,24)25)27-17-16(19(30)20(17)31)26-14-8-6-7-13(18(14)29)22(32)28(4)5/h6-11,21,26-27,29H,1-5H3/t21-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair