BDBM50394597 CHEMBL2164201

SMILES: C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1

InChI Key: InChIKey=VQCGLGMTXRSPOQ-JOCHJYFZSA-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 = 50394597   

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))	BDBM50394597 (CHEMBL2164201) Show SMILES C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C30H41N5O3S/c1-21-16-26(18-31)33-23(3)29(21)30(37)32-10-4-22(2)34-11-5-27(6-12-34)35(19-25-9-15-39-20-25)28(36)17-24-7-13-38-14-8-24/h9,15-16,20,22,24,27H,4-8,10-14,17,19H2,1-3H3,(H,32,37)/t22-/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	0.800	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
					More data for this Ligand-Target Pair