BDBM50440264 CHEMBL2426682

SMILES: COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1

InChI Key: InChIKey=JSJHUXMAZWAWGK-DEOSSOPVSA-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 = 50440264   

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
Ghrelin receptor (Homo sapiens (Human))	BDBM50440264 (CHEMBL2426682) Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r| Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting				Bioorg Med Chem Lett 23: 5410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.07.044 BindingDB Entry DOI: 10.7270/Q25H7HP5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50440264 (CHEMBL2426682) Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r| Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...				Bioorg Med Chem Lett 23: 5410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.07.044 BindingDB Entry DOI: 10.7270/Q25H7HP5
					More data for this Ligand-Target Pair