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BDBM50088319 CHEMBL62339::Dimethyl-(4-{[3-(4-piperidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbonyl]-amino}-benzyl)-(tetrahydro-pyran-4-yl)-ammonium; iodide

SMILES: C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCCC2)cc1)C1CCOCC1

InChI Key: InChIKey=VZYGVCXPARHAQA-UHFFFAOYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088319   
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))		BDBM50088319
PNG
(CHEMBL62339 | Dimethyl-(4-{[3-(4-piperidin-1-yl-ph...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCCC2)cc1)C1CCOCC1 |t:11|
Show InChI InChI=1S/C37H45N3O2/c1-40(2,36-19-23-42-24-20-36)27-28-9-15-34(16-10-28)38-37(41)32-8-6-7-29-11-12-31(25-33(29)26-32)30-13-17-35(18-14-30)39-21-4-3-5-22-39/h9-18,25-26,36H,3-8,19-24,27H2,1-2H3/p+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.20n/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