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SMILES: CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1

InChI Key: InChIKey=MOTWHVHXEUGRAJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50102225   
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))
BDBM50102225
PNG
(CHEMBL39740 | N'-(3-[2,2']Bithiophenyl-5-yl-6,7-di...)
Show SMILES CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C24H26Cl2N4S2/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)
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PC cid
PC sid
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PubMed
n/an/a 110n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2


Bioorg Med Chem Lett 12: 1517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50102225
PNG
(CHEMBL39740 | N'-(3-[2,2']Bithiophenyl-5-yl-6,7-di...)
Show SMILES CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C24H26Cl2N4S2/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 110n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Compound binding was evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human C-X-C chem...


Bioorg Med Chem Lett 11: 1951-4 (2001)


BindingDB Entry DOI: 10.7270/Q2TX3DN0
More data for this
Ligand-Target Pair