BDBM50394604 CHEMBL2164214

SMILES: C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)CC1CCOCC1

InChI Key: InChIKey=GMQFBAWGLGVDPZ-HSZRJFAPSA-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 = 50394604   

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))	BDBM50394604 (CHEMBL2164214) Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C31H44ClN5O3/c1-21-5-11-33-19-26(21)20-37(29(38)18-25-9-15-40-16-10-25)27-7-13-36(14-8-27)23(3)6-12-34-31(39)30-22(2)17-28(32)35-24(30)4/h5,11,17,19,23,25,27H,6-10,12-16,18,20H2,1-4H3,(H,34,39)/t23-/m1/s1	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	31.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...				ACS Med Chem Lett 3: 216-221 (2012) Article DOI: 10.1021/ml2002604 BindingDB Entry DOI: 10.7270/Q2T43V6M
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