BDBM50095336 2-(5-{1-[3-(1-carboxy-3-methylsulfanylpropylcarbamoyl)-5-chloro-4-hydroxyphenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-3-chloro-2-hydroxyphenylcarboxamido)-4-methylsulfanylbutanoic acid::CHEMBL3138123

SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8])c(c3)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-[#6][C@]12[#6]

InChI Key InChIKey=GKBWPZYBKCSUQX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095336   

TargetC-C chemokine receptor type 1(Human)
National Cancer Istitute-Frederick Cancer Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50095336(2-(5-{1-[3-(1-carboxy-3-methylsulfanylpropylcarbam...)
Affinity DataIC50: 1.27E+4nMAssay Description:Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectantsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed