BDBM50047422 CHEMBL3319403

SMILES: CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1

InChI Key: InChIKey=LWQMVQKPXBEQRF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50047422   

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
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50047422 (CHEMBL3319403) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1 Show InChI InChI=1S/C24H23ClN6O4S2/c1-30-11-7-16(8-12-30)37(34,35)17-4-6-20-21(14-17)36-24(27-20)29-23(33)28-22(32)18-13-15(3-5-19(18)25)31-10-2-9-26-31/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,27,28,29,32,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50047422 (CHEMBL3319403) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1 Show InChI InChI=1S/C24H23ClN6O4S2/c1-30-11-7-16(8-12-30)37(34,35)17-4-6-20-21(14-17)36-24(27-20)29-23(33)28-22(32)18-13-15(3-5-19(18)25)31-10-2-9-26-31/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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