BDBM50047416 CHEMBL3319215

SMILES: CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1

InChI Key: InChIKey=BGMODZIUQQKLRO-UHFFFAOYSA-N

Data: 2 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 = 50047416   

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))	BDBM50047416 (CHEMBL3319215) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Histone deacetylase (Rattus norvegicus)	BDBM50047416 (CHEMBL3319215) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair