BDBM50386948 CHEMBL2048813

SMILES: COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4nccn4)C3)CC2)cc1

InChI Key: InChIKey=IAZASEBIEQOFAV-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 = 50386948   

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))	BDBM50386948 (CHEMBL2048813) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4nccn4)C3)CC2)cc1 Show InChI InChI=1S/C25H29N5O3/c1-32-22-6-8-23(9-7-22)33-17-24(31)29-14-10-25(11-15-29)18-28(19-25)16-20-2-4-21(5-3-20)30-26-12-13-27-30/h2-9,12-13H,10-11,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50386948 (CHEMBL2048813) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4nccn4)C3)CC2)cc1 Show InChI InChI=1S/C25H29N5O3/c1-32-22-6-8-23(9-7-22)33-17-24(31)29-14-10-25(11-15-29)18-28(19-25)16-20-2-4-21(5-3-20)30-26-12-13-27-30/h2-9,12-13H,10-11,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	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