BDBM50103083 (4-{(S)-4-[(S)-1-(4-Benzo[1,3]dioxol-5-ylmethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL264442

SMILES: C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1

InChI Key: InChIKey=JGAMGZZJGJQWBX-SVBPBHIXSA-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 = 50103083   

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))	BDBM50103083 ((4-{(S)-4-[(S)-1-(4-Benzo[1,3]dioxol-5-ylmethyl-ph...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C35H43N3O3/c1-24-6-5-7-25(2)34(24)35(39)36-16-14-31(15-17-36)37-18-19-38(26(3)22-37)27(4)30-11-8-28(9-12-30)20-29-10-13-32-33(21-29)41-23-40-32/h5-13,21,26-27,31H,14-20,22-23H2,1-4H3/t26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103083 ((4-{(S)-4-[(S)-1-(4-Benzo[1,3]dioxol-5-ylmethyl-ph...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C35H43N3O3/c1-24-6-5-7-25(2)34(24)35(39)36-16-14-31(15-17-36)37-18-19-38(26(3)22-37)27(4)30-11-8-28(9-12-30)20-29-10-13-32-33(21-29)41-23-40-32/h5-13,21,26-27,31H,14-20,22-23H2,1-4H3/t26-,27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	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