Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 579.7 BDBM50141849

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))	BDBM50141849 ((3-{4-[5-(4-Cyano-phenyl)-2-ethyl-2H-pyrazol-3-yl]...) Show SMILES CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C36H45N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,23-25H2,1H3,(H,42,43)/t31-,32+,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	16	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))	BDBM50141849 ((3-{4-[5-(4-Cyano-phenyl)-2-ethyl-2H-pyrazol-3-yl]...) Show SMILES CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C36H45N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,23-25H2,1H3,(H,42,43)/t31-,32+,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	16	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