null

SMILES: CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F

InChI Key: InChIKey=OGKWLTVICQOPPH-MLKSZZLFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123129   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50123129 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F Show InChI InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123129 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F Show InChI InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair