null

SMILES: CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1cncnc1

InChI Key: InChIKey=XIUXJGLXQIZUKO-TUMTZTIRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123127   

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))	BDBM50123127 ((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)c1cncnc1 Show InChI InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	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))	BDBM50123127 ((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)c1cncnc1 Show InChI InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70	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