BDBM50386949 CHEMBL2048814

SMILES: COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-n4nccn4)C3)CC2)cc1

InChI Key: InChIKey=BNLUKHOWAIVTJO-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 = 50386949   

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))	BDBM50386949 (CHEMBL2048814) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-n4nccn4)C3)CC2)cc1 Show InChI InChI=1S/C25H28ClN5O3/c1-33-21-4-6-22(7-5-21)34-16-24(32)30-12-8-25(9-13-30)17-29(18-25)15-19-2-3-20(14-23(19)26)31-27-10-11-28-31/h2-7,10-11,14H,8-9,12-13,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50386949 (CHEMBL2048814) Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-n4nccn4)C3)CC2)cc1 Show InChI InChI=1S/C25H28ClN5O3/c1-33-21-4-6-22(7-5-21)34-16-24(32)30-12-8-25(9-13-30)17-29(18-25)15-19-2-3-20(14-23(19)26)31-27-10-11-28-31/h2-7,10-11,14H,8-9,12-13,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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