BDBM102976 US8546435, 4

SMILES: COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1

InChI Key: InChIKey=LFNRSBOROBEJIW-CZNDPXEESA-N

Data: 1 KI  3 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 4 hits for monomerid = 102976   

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))	BDBM102976 (US8546435, 4) Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 |r| Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM102976 (US8546435, 4) Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 |r| Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM102976 (US8546435, 4) Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 |r| Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II US Patent					Assay Description Competitive binding assay using ghrelin receptor.				US Patent US8546435 (2013) BindingDB Entry DOI: 10.7270/Q22N50XS
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM102976 (US8546435, 4) Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 |r| Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair