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BDBM50193984 6-chloro-3-({(cyanoimino)[(2-ethylphenyl)amino]methyl}amino)-2-hydroxy-N,N-dimethylbenzenesulfonamide::CHEMBL386505

SMILES: CCc1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C

InChI Key: InChIKey=NTWHZYBSKKHULS-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193984   
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 1


(Homo sapiens (Human))
BDBM50193984
PNG
(6-chloro-3-({(cyanoimino)[(2-ethylphenyl)amino]met...)
Show SMILES CCc1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C |w:13.14|
Show InChI InChI=1S/C18H20ClN5O3S/c1-4-12-7-5-6-8-14(12)22-18(21-11-20)23-15-10-9-13(19)17(16(15)25)28(26,27)24(2)3/h5-10,25H,4H2,1-3H3,(H2,21,22,23)
PDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 512n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
BindingDB Entry DOI: 10.7270/Q2NV9HWD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50193984
PNG
(6-chloro-3-({(cyanoimino)[(2-ethylphenyl)amino]met...)
Show SMILES CCc1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C |w:13.14|
Show InChI InChI=1S/C18H20ClN5O3S/c1-4-12-7-5-6-8-14(12)22-18(21-11-20)23-15-10-9-13(19)17(16(15)25)28(26,27)24(2)3/h5-10,25H,4H2,1-3H3,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
BindingDB Entry DOI: 10.7270/Q2NV9HWD
More data for this
Ligand-Target Pair