BDBM50364757 CHEMBL1951895

SMILES: CCN(C1CCN(CCC(N2CCN(CC2)C(C)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=JDFSLKRZSJQKFT-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 = 50364757   

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))	BDBM50364757 (CHEMBL1951895) Show SMILES CCN(C1CCN(CCC(N2CCN(CC2)C(C)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H44N4O4S/c1-4-35(31(37)24-26-10-12-29(13-11-26)40(3,38)39)28-14-17-32(18-15-28)19-16-30(27-8-6-5-7-9-27)34-22-20-33(21-23-34)25(2)36/h5-13,28,30H,4,14-24H2,1-3H3	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	229	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
					More data for this Ligand-Target Pair