BDBM50441727 CHEMBL2435845

SMILES: Cc1nc(Nc2ccc(cc2)C(O)=O)ncc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1

InChI Key: InChIKey=CDDUGYMASQDEKR-LJAQVGFWSA-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 = 50441727   

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))	BDBM50441727 (CHEMBL2435845) Show SMILES Cc1nc(Nc2ccc(cc2)C(O)=O)ncc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C32H37ClN6O4/c1-21-24(18-34-31(35-21)36-26-7-5-22(6-8-26)30(40)41)19-37-13-9-28(10-14-37)39-29(23-3-2-4-25(33)17-23)20-38(32(39)42)27-11-15-43-16-12-27/h2-8,17-18,27-29H,9-16,19-20H2,1H3,(H,40,41)(H,34,35,36)/t29-/m0/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair