BindingDB logo
myBDB logout

null

SMILES: CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)C1CCCCC1)c1ccccc1

InChI Key: InChIKey=MITCPTXLKAUFRK-UQWUFBTJSA-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 = 50374076   
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))		BDBM50374076
PNG
(CHEMBL256792)
Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)C1CCCCC1)c1ccccc1 |THB:17:16:10.9.15:13.12|
Show InChI InChI=1S/C29H43N5O/c1-21(2)28-31-30-22(3)34(28)27-19-25-15-16-26(20-27)32(25)17-10-18-33(24-13-8-5-9-14-24)29(35)23-11-6-4-7-12-23/h5,8-9,13-14,21,23,25-27H,4,6-7,10-12,15-20H2,1-3H3/t25-,26+,27+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells

Bioorg Med Chem Lett 18: 1498-501 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.058
BindingDB Entry DOI: 10.7270/Q2V125PH
More data for this
Ligand-Target Pair