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BDBM50302098 3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL577075

SMILES: CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O

InChI Key: InChIKey=OXXWFUQKMJSKBO-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50302098   
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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50302098
PNG
(3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...)
Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a



WuXi PharmaTech Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting


Bioorg Med Chem Lett 19: 5741-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.014
BindingDB Entry DOI: 10.7270/Q25H7GB8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50302098
PNG
(3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...)
Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.70E+3n/an/an/an/an/an/an/an/a



WuXi PharmaTech Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting


Bioorg Med Chem Lett 19: 5741-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.014
BindingDB Entry DOI: 10.7270/Q25H7GB8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50302098
PNG
(3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...)
Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



WuXi PharmaTech Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 expressed in CHO cells assessed as inhibition of IL-8-induced chemotaxis


Bioorg Med Chem Lett 19: 5741-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.014
BindingDB Entry DOI: 10.7270/Q25H7GB8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50302098
PNG
(3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...)
Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



WuXi PharmaTech Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting


Bioorg Med Chem Lett 19: 5741-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.014
BindingDB Entry DOI: 10.7270/Q25H7GB8
More data for this
Ligand-Target Pair