BDBM50365815 CHEMBL1956994

SMILES: CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Br)cc4F)nc3c2=O)C1

InChI Key: InChIKey=LMBFVVBQYYWDKN-INIZCTEOSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50365815   

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))	BDBM50365815 (CHEMBL1956994) Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r| Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting				Bioorg Med Chem Lett 22: 2271-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.078 BindingDB Entry DOI: 10.7270/Q20G3KMP
					More data for this Ligand-Target Pair				3D Structure (crystal)