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BDBM50088303 1-Methyl-1-(2-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-phenyl}-ethyl)-piperidinium; iodide::CHEMBL64163

SMILES: Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(CC[N+]2(C)CCCCC2)cc1

InChI Key: InChIKey=INJKKEOCLGEHDY-UHFFFAOYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088303   
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))		BDBM50088303
PNG
(1-Methyl-1-(2-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]o...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(CC[N+]2(C)CCCCC2)cc1 |c:15|
Show InChI InChI=1S/C32H36N2O2/c1-24-6-10-26(11-7-24)27-12-15-31-29(22-27)23-28(17-21-36-31)32(35)33-30-13-8-25(9-14-30)16-20-34(2)18-4-3-5-19-34/h6-15,22-23H,3-5,16-21H2,1-2H3/p+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair