BDBM50441724 CHEMBL2435854

SMILES: Cc1cccc(c1)[C@@H]1CN(C2CCOCC2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)nc2C)CC1

InChI Key: InChIKey=HVCNZNXEJRDNJD-HKBQPEDESA-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 = 50441724   

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))	BDBM50441724 (CHEMBL2435854) Show SMILES Cc1cccc(c1)[C@@H]1CN(C2CCOCC2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)nc2C)CC1 |r| Show InChI InChI=1S/C34H40N4O5/c1-23-4-3-5-26(20-23)31-22-37(28-14-18-42-19-15-28)34(41)38(31)29-12-16-36(17-13-29)21-27-8-11-32(35-24(27)2)43-30-9-6-25(7-10-30)33(39)40/h3-11,20,28-29,31H,12-19,21-22H2,1-2H3,(H,39,40)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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