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BDBM50098634 1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; iodide::CHEMBL34165

SMILES: C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12

InChI Key: InChIKey=XRGRFIJPNWJGGI-UHFFFAOYSA-O

Data: 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 2 hits for monomerid = 50098634   
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-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098634
PNG
(1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)|
Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Mus musculus)
BDBM50098634
PNG
(1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carb...)
Show SMILES C[N+]1(CC2CCCCCCC2)CCC(CC1)NC(=O)C1c2ccccc2Oc2ccccc12 |(5.5,2.52,;5.66,.6,;7.01,-.17,;8.57,.51,;7.97,1.93,;8.57,3.36,;9.99,3.95,;11.4,3.36,;12,1.95,;11.4,.51,;9.99,-.08,;4.31,1.35,;2.99,.6,;2.99,-.94,;4.34,-1.71,;5.69,-.94,;1.68,-1.73,;.36,-.96,;.33,.58,;-.98,-1.73,;-.98,-3.27,;.33,-4.05,;.33,-5.58,;-1.02,-6.35,;-2.33,-5.56,;-2.33,-4.04,;-3.65,-3.27,;-3.65,-1.73,;-4.96,-.97,;-4.99,.58,;-3.65,1.35,;-2.3,.58,;-2.3,-.96,)|
Show InChI InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair