BDBM50096513 1-oxo-1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1N-methyl-2-phenylacetamide::1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1-oxide-1N-methyl-2-phenylacetamide::CHEMBL314342

SMILES: CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1

InChI Key: InChIKey=NJTRIIAWECXRRV-PNRFPLAFSA-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 = 50096513   

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))	BDBM50096513 (1-oxo-1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihyd...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C31H34Cl2N2O2S/c1-34(30(36)19-23-7-3-2-4-8-23)21-25(24-11-12-27(32)28(33)20-24)13-16-35-17-14-31(15-18-35)22-38(37)29-10-6-5-9-26(29)31/h2-12,20,25H,13-19,21-22H2,1H3/t25-,38?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...				Bioorg Med Chem Lett 11: 3099-102 (2001) BindingDB Entry DOI: 10.7270/Q2KK9B26
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50096513 (1-oxo-1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihyd...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C31H34Cl2N2O2S/c1-34(30(36)19-23-7-3-2-4-8-23)21-25(24-11-12-27(32)28(33)20-24)13-16-35-17-14-31(15-18-35)22-38(37)29-10-6-5-9-26(29)31/h2-12,20,25H,13-19,21-22H2,1H3/t25-,38?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 11: 259-64 (2001) BindingDB Entry DOI: 10.7270/Q29Z945C
					More data for this Ligand-Target Pair