BDBM50394602 CHEMBL2164216

SMILES: C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)Nc1cccnc1

InChI Key: InChIKey=YFCXGZOWAVGWJN-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 = 50394602   

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))	BDBM50394602 (CHEMBL2164216) Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C30H38ClN7O2/c1-20-7-12-33-17-24(20)19-38(30(40)36-25-6-5-11-32-18-25)26-9-14-37(15-10-26)22(3)8-13-34-29(39)28-21(2)16-27(31)35-23(28)4/h5-7,11-12,16-18,22,26H,8-10,13-15,19H2,1-4H3,(H,34,39)(H,36,40)/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	14.3	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