Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.5 BDBM50269358

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))	BDBM50269358 ((S)-3-((R,Z)-4-(((1S,2R,4aR,6R,8S,8aR)-2-((E)-but-...) Show SMILES C\C=C(/C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)C1C(=O)N[C@H](C[C@](C)(O)C(O)=O)C1=O |r| Show InChI InChI=1S/C25H37NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6,12,14-20,32H,7-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+/t12-,14+,15-,16+,17-,18-,19-,20?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in mouse 3T3 cells				J Nat Prod 69: 1025-8 (2006) Article DOI: 10.1021/np060121y BindingDB Entry DOI: 10.7270/Q2WM1D6X
					More data for this Ligand-Target Pair