BDBM50103078 CHEMBL67563::[4-(4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-piperazin-1-yl)-piperidin-1-yl]-(2,6-dimethyl-phenyl)-methanone

SMILES: C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=DSYMOXJOJWZVRV-VWLOTQADSA-N

Data: 2 KI

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 = 50103078   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103078 (CHEMBL67563 | [4-(4-{(S)-1-[4-(Benzo[1,3]dioxole-5...) Show SMILES C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)36-15-13-27(14-16-36)35-19-17-34(18-20-35)25(3)26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(21-29)41-22-40-30/h4-12,21,25,27H,13-20,22H2,1-3H3/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Affinity for Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2143-6 (2001) BindingDB Entry DOI: 10.7270/Q2VQ320K
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50103078 (CHEMBL67563 | [4-(4-{(S)-1-[4-(Benzo[1,3]dioxole-5...) Show SMILES C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)36-15-13-27(14-16-36)35-19-17-34(18-20-35)25(3)26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(21-29)41-22-40-30/h4-12,21,25,27H,13-20,22H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	442	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5				Bioorg Med Chem Lett 11: 2143-6 (2001) BindingDB Entry DOI: 10.7270/Q2VQ320K
					More data for this Ligand-Target Pair