BDBM50539687 CHEMBL4635089

SMILES: CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)CO)c(=O)[nH]1

InChI Key: InChIKey=LZRSMQARMRZWHQ-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50539687   

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))	BDBM50539687 (CHEMBL4635089) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)CO)c(=O)[nH]1 Show InChI InChI=1S/C25H27ClN4O5S/c1-2-35-21-12-17(26)16(11-20(21)29-7-9-34-10-8-29)18-4-3-15(24(33)27-18)25-28-19-5-6-30(23(32)14-31)13-22(19)36-25/h3-4,11-12,31H,2,5-10,13-14H2,1H3,(H,27,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	22	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
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50539687 (CHEMBL4635089) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)CO)c(=O)[nH]1 Show InChI InChI=1S/C25H27ClN4O5S/c1-2-35-21-12-17(26)16(11-20(21)29-7-9-34-10-8-29)18-4-3-15(24(33)27-18)25-28-19-5-6-30(23(32)14-31)13-22(19)36-25/h3-4,11-12,31H,2,5-10,13-14H2,1H3,(H,27,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	910	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR109A receptor				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50539687 (CHEMBL4635089) Show SMILES CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)CO)c(=O)[nH]1 Show InChI InChI=1S/C25H27ClN4O5S/c1-2-35-21-12-17(26)16(11-20(21)29-7-9-34-10-8-29)18-4-3-15(24(33)27-18)25-28-19-5-6-30(23(32)14-31)13-22(19)36-25/h3-4,11-12,31H,2,5-10,13-14H2,1H3,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair