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BDBM50213746 7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol::CHEMBL393253

SMILES: Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O

InChI Key: InChIKey=LVXWALKAOMXUDJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50213746   
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))
BDBM50213746
PNG
(7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O |t:9|
Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 460n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50213746
PNG
(7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O |t:9|
Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of human recombinant [125I]IL8 from CXCR1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50213746
PNG
(7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O |t:9|
Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair