Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 626.7 BDBM50141893

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))	BDBM50141893 ((2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Difluoromethoxy-benz...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C35H45F3N4O3/c1-4-23(3)33(34(43)44)41-21-27(31(22-41)26-7-6-8-28(36)18-26)20-40-15-13-25(14-16-40)32-19-29(39-42(32)5-2)17-24-9-11-30(12-10-24)45-35(37)38/h6-12,18-19,23,25,27,31,33,35H,4-5,13-17,20-22H2,1-3H3,(H,43,44)/t23-,27-,31+,33+/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	0.300	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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