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BDBM50088315 (3-Hydroxy-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide::CHEMBL294501

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

InChI Key: InChIKey=PCROXFFKMNLHDE-UHFFFAOYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088315   
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))		BDBM50088315
PNG
((3-Hydroxy-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dih...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)CCCO)cc1 |c:15|
Show InChI InChI=1S/C30H34N2O3/c1-22-5-9-24(10-6-22)25-11-14-29-27(19-25)20-26(15-18-35-29)30(34)31-28-12-7-23(8-13-28)21-32(2,3)16-4-17-33/h5-14,19-20,33H,4,15-18,21H2,1-3H3/p+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.80n/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