BDBM50104249 CHEMBL81252::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester::{1-[4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester

SMILES: CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=KWILXWLMEXXFLT-MUUNZHRXSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50104249   

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))	BDBM50104249 (CHEMBL81252 | {1-[(S)-4-(Benzenesulfonyl-methyl-am...) Show SMILES CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H40ClN3O4S/c1-3-36(32(37)40-25-26-11-6-4-7-12-26)30-18-21-35(22-19-30)20-17-28(27-13-10-14-29(33)23-27)24-34(2)41(38,39)31-15-8-5-9-16-31/h4-16,23,28,30H,3,17-22,24-25H2,1-2H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104249 (CHEMBL81252 | {1-[(S)-4-(Benzenesulfonyl-methyl-am...) Show SMILES CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H40ClN3O4S/c1-3-36(32(37)40-25-26-11-6-4-7-12-26)30-18-21-35(22-19-30)20-17-28(27-13-10-14-29(33)23-27)24-34(2)41(38,39)31-15-8-5-9-16-31/h4-16,23,28,30H,3,17-22,24-25H2,1-2H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells				Bioorg Med Chem Lett 11: 2475-9 (2001) BindingDB Entry DOI: 10.7270/Q2319V4F
					More data for this Ligand-Target Pair