Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 608.8 BDBM50119334

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))	BDBM50119334 (CHEMBL101333 | Cyclohexyl-{(S)-3-[4-hydroxy-4-(3-p...) Show SMILES OC1(CCCc2ccccc2)CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(=O)OCc2ccccc2)CC1 Show InChI InChI=1S/C40H52N2O3/c43-39(45-31-33-16-7-2-8-17-33)38(35-21-11-4-12-22-35)42-29-36(37(30-42)34-19-9-3-10-20-34)28-41-26-24-40(44,25-27-41)23-13-18-32-14-5-1-6-15-32/h1-3,5-10,14-17,19-20,35-38,44H,4,11-13,18,21-31H2/t36-,37+,38+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.				Bioorg Med Chem Lett 12: 3001-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6C71
					More data for this Ligand-Target Pair