Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 657.7 BDBM50496852

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))	BDBM50496852 (CHEMBL3219782) Show SMILES CNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 |r,TLB:18:19:21.22:25.24.26,27:25:21.22:19| Show InChI InChI=1S/C34H49F2N7O4/c1-21(2)32-41-40-22(3)43(32)28-17-26-9-10-27(18-28)42(26)16-13-29(39-33(46)24-11-14-34(35,36)15-12-24)23-5-7-25(8-6-23)38-31(45)20-47-19-30(44)37-4/h5-8,21,24,26-29H,9-20H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t26?,27?,28?,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins fo...				Medchemcomm 4: 847-851 (2013) Article DOI: 10.1039/c3md00080j BindingDB Entry DOI: 10.7270/Q2474DTH
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