BindingDB logo
myBDB logout

null

SMILES: CC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1

InChI Key: InChIKey=NSMOPVPYVGXDIL-UHFFFAOYSA-N

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 1 hit for monomerid = 50488236   
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 5


(Homo sapiens (Human))		BDBM50488236
PNG
(CHEMBL2281956)
Show SMILES CC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C26H34BrClN2O2/c1-20-8-12-30(13-9-20)19-26(31)10-14-29(15-11-26)17-22-16-23(27)4-7-25(22)32-18-21-2-5-24(28)6-3-21/h2-7,16,20,31H,8-15,17-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Homo sapiens (human) CCR5 receptor

Citation and Details

Article DOI: 10.1007/s00044-012-0118-7
BindingDB Entry DOI: 10.7270/Q24J0J1F
More data for this
Ligand-Target Pair