Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.7 BDBM50141977

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))	BDBM50141977 ((2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methoxy-benz...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C35H47FN4O3/c1-5-24(3)34(35(41)42)39-22-28(32(23-39)27-10-8-11-29(36)19-27)21-38-15-13-26(14-16-38)33-20-30(37-40(33)6-2)17-25-9-7-12-31(18-25)43-4/h7-12,18-20,24,26,28,32,34H,5-6,13-17,21-23H2,1-4H3,(H,41,42)/t24-,28-,32+,34+/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
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