BDBM50364761 CHEMBL1951901

SMILES: CCN(C1CCN(CCC(N2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=PNYWSRFQQRUDKN-UHFFFAOYSA-N

Data: 1 IC50

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 = 50364761   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50364761 (CHEMBL1951901) Show SMILES CCN(C1CCN(CCC(N2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C37H49N3O3S/c1-3-40(37(41)29-31-14-16-35(17-15-31)44(2,42)43)34-20-23-38(24-21-34)25-22-36(33-12-8-5-9-13-33)39-26-18-32(19-27-39)28-30-10-6-4-7-11-30/h4-17,32,34,36H,3,18-29H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 22: 1655-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.117 BindingDB Entry DOI: 10.7270/Q25H7GQ6
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