BDBM50386944 CHEMBL2048809

SMILES: COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccccc4Cl)C3)CC2)cc1

InChI Key: InChIKey=JRYJSKZSQZTOIH-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50386944   

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))	BDBM50386944 (CHEMBL2048809) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccccc4Cl)C3)CC2)cc1 Show InChI InChI=1S/C23H27ClN2O3/c1-28-19-6-8-20(9-7-19)29-15-22(27)26-12-10-23(11-13-26)16-25(17-23)14-18-4-2-3-5-21(18)24/h2-9H,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	445	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA				Bioorg Med Chem Lett 22: 4281-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.024 BindingDB Entry DOI: 10.7270/Q2P2705D
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50386944 (CHEMBL2048809) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccccc4Cl)C3)CC2)cc1 Show InChI InChI=1S/C23H27ClN2O3/c1-28-19-6-8-20(9-7-19)29-15-22(27)26-12-10-23(11-13-26)16-25(17-23)14-18-4-2-3-5-21(18)24/h2-9H,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	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 HEK293 cells after 8 hrs by SPA				Bioorg Med Chem Lett 22: 4281-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.024 BindingDB Entry DOI: 10.7270/Q2P2705D
					More data for this Ligand-Target Pair