BDBM50394605 CHEMBL2164213

SMILES: COc1ccc(cc1)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C

InChI Key: InChIKey=FGAWJCZNJAGAHI-HXUWFJFHSA-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 = 50394605   

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))	BDBM50394605 (CHEMBL2164213) Show SMILES COc1ccc(cc1)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C28H37N5O2S/c1-20(9-13-29-28(34)27-21(2)30-19-31-22(27)3)32-14-10-25(11-15-32)33(17-23-12-16-36-18-23)24-5-7-26(35-4)8-6-24/h5-8,12,16,18-20,25H,9-11,13-15,17H2,1-4H3,(H,29,34)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	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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