BDBM50441874 CHEMBL2436825

SMILES: CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1

InChI Key: InChIKey=QGAIBJYYYSALEK-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 = 50441874   

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))	BDBM50441874 (CHEMBL2436825) Show SMILES CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 Show InChI InChI=1S/C27H31N5O3/c1-3-35-26-9-6-22(16-24(26)31-27(34)25-17-28-12-13-29-25)21-10-14-32(15-11-21)18-20-4-7-23(8-5-20)30-19(2)33/h4-9,12-13,16-17,21H,3,10-11,14-15,18H2,1-2H3,(H,30,33)(H,31,34)	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	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...				Eur J Med Chem 69: 647-58 (2013) Article DOI: 10.1016/j.ejmech.2013.09.004 BindingDB Entry DOI: 10.7270/Q26W9CJK
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