BDBM50398340 CHEMBL2178576

SMILES: CO\N=C(/c1ccc(Br)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C

InChI Key: InChIKey=JATBGQRLRFLJOJ-HIXSDJFHSA-N

Data: 1 KI

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 = 50398340   

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))	BDBM50398340 (CHEMBL2178576) Show SMILES CO\N=C(/c1ccc(Br)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C Show InChI InChI=1S/C22H26BrN3O3/c1-15-9-12-26(28)16(2)19(15)21(27)25-13-10-22(3,11-14-25)20(24-29-4)17-5-7-18(23)8-6-17/h5-9,12H,10-11,13-14H2,1-4H3/b24-20+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to CCR5				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
					More data for this Ligand-Target Pair