null

SMILES: CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1

InChI Key: InChIKey=FEKRAPQYYVJDCN-RFYMFKDESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123135   

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))	BDBM50123135 ((R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 Show InChI InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				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))	BDBM50123135 ((R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 Show InChI InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	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