Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 568.7 BDBM50141846

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

Found 2 hits 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))	BDBM50141846 ((R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1cc(Cc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-25-31(22-27-12-6-3-7-13-27)34(37-40)29-18-20-38(21-19-29)23-32-24-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,25,29-30,32-33,35H,2,5,10-11,16-24,26H2,1H3,(H,41,42)/t32-,33+,35+/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141846 ((R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1cc(Cc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-25-31(22-27-12-6-3-7-13-27)34(37-40)29-18-20-38(21-19-29)23-32-24-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,25,29-30,32-33,35H,2,5,10-11,16-24,26H2,1H3,(H,41,42)/t32-,33+,35+/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human CC chemokine receptor 5				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
					More data for this Ligand-Target Pair