Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 547.9 BDBM50104936

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))	BDBM50104936 ((2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-met...) Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to C-C chemokine receptor type 5				J Med Chem 44: 3339-42 (2001) BindingDB Entry DOI: 10.7270/Q27M0771
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50104936 ((2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-met...) Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells				J Med Chem 45: 3143-60 (2002) BindingDB Entry DOI: 10.7270/Q2HD7TZJ
					More data for this Ligand-Target Pair