BDBM50386945 CHEMBL2048810

SMILES: COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cc1

InChI Key: InChIKey=SMVHRGCRHJGCQH-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 = 50386945   

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))	BDBM50386945 (CHEMBL2048810) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cc1 Show InChI InChI=1S/C27H35ClN2O4/c1-20(2)16-33-24-5-4-21(25(28)14-24)15-29-18-27(19-29)10-12-30(13-11-27)26(31)17-34-23-8-6-22(32-3)7-9-23/h4-9,14,20H,10-13,15-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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))	BDBM50386945 (CHEMBL2048810) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cc1 Show InChI InChI=1S/C27H35ClN2O4/c1-20(2)16-33-24-5-4-21(25(28)14-24)15-29-18-27(19-29)10-12-30(13-11-27)26(31)17-34-23-8-6-22(32-3)7-9-23/h4-9,14,20H,10-13,15-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	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