Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.6 BDBM50248269

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50248269 ((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...) Show SMILES CC(C)C(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H39N5O/c1-17(2)24-28-27-20(6)30(24)22-12-14-29(15-13-22)19(5)16-23(26-25(31)18(3)4)21-10-8-7-9-11-21/h7-11,17-19,22-23H,12-16H2,1-6H3,(H,26,31)/t19?,23-/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	3.11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1499-503 (2009) Article DOI: 10.1016/j.bmcl.2009.01.008 BindingDB Entry DOI: 10.7270/Q2PN96JF
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