BDBM50544725 CHEMBL4643789

SMILES: COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1

InChI Key: InChIKey=QVGYRVJMENXXAI-VWLOTQADSA-N

Data: 3 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 = 50544725   

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
Apelin receptor (Homo sapiens (Human))	BDBM50544725 (CHEMBL4643789) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:25.28,(65.64,-25.66,;66.26,-27.06,;65.36,-28.3,;63.83,-28.14,;62.92,-29.39,;63.54,-30.8,;65.07,-30.97,;65.7,-32.37,;64.79,-33.62,;65.99,-29.71,;67.52,-29.86,;68.55,-28.72,;69.96,-29.34,;69.8,-30.87,;68.3,-31.2,;67.67,-32.6,;66.15,-32.77,;65.54,-34.17,;66.44,-35.41,;65.83,-36.82,;67.97,-35.24,;68.59,-33.83,;71.29,-28.57,;71.28,-27.03,;72.62,-29.34,;73.95,-28.56,;73.95,-27.02,;75.29,-26.25,;75.28,-24.71,;76.62,-23.94,;76.62,-22.41,;75.29,-21.64,;73.95,-22.4,;73.94,-23.95,;75.29,-29.33,;76.62,-28.56,;76.62,-27.02,;77.96,-29.33,;79.29,-28.55,;80.78,-28.96,;81.18,-27.47,;79.69,-27.07,)| Show InChI InChI=1S/C33H41FN4O4/c1-41-29-12-7-13-30(42-2)32(29)28-21-27(37-38(28)26-18-15-23(34)16-19-26)33(40)36-25(17-14-22-8-4-3-5-9-22)20-31(39)35-24-10-6-11-24/h7,12-13,15-16,18-19,21-22,24-25H,3-6,8-11,14,17,20H2,1-2H3,(H,35,39)(H,36,40)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	425	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50544725 (CHEMBL4643789) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:25.28,(65.64,-25.66,;66.26,-27.06,;65.36,-28.3,;63.83,-28.14,;62.92,-29.39,;63.54,-30.8,;65.07,-30.97,;65.7,-32.37,;64.79,-33.62,;65.99,-29.71,;67.52,-29.86,;68.55,-28.72,;69.96,-29.34,;69.8,-30.87,;68.3,-31.2,;67.67,-32.6,;66.15,-32.77,;65.54,-34.17,;66.44,-35.41,;65.83,-36.82,;67.97,-35.24,;68.59,-33.83,;71.29,-28.57,;71.28,-27.03,;72.62,-29.34,;73.95,-28.56,;73.95,-27.02,;75.29,-26.25,;75.28,-24.71,;76.62,-23.94,;76.62,-22.41,;75.29,-21.64,;73.95,-22.4,;73.94,-23.95,;75.29,-29.33,;76.62,-28.56,;76.62,-27.02,;77.96,-29.33,;79.29,-28.55,;80.78,-28.96,;81.18,-27.47,;79.69,-27.07,)| Show InChI InChI=1S/C33H41FN4O4/c1-41-29-12-7-13-30(42-2)32(29)28-21-27(37-38(28)26-18-15-23(34)16-19-26)33(40)36-25(17-14-22-8-4-3-5-9-22)20-31(39)35-24-10-6-11-24/h7,12-13,15-16,18-19,21-22,24-25H,3-6,8-11,14,17,20H2,1-2H3,(H,35,39)(H,36,40)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	344	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50544725 (CHEMBL4643789) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:25.28,(65.64,-25.66,;66.26,-27.06,;65.36,-28.3,;63.83,-28.14,;62.92,-29.39,;63.54,-30.8,;65.07,-30.97,;65.7,-32.37,;64.79,-33.62,;65.99,-29.71,;67.52,-29.86,;68.55,-28.72,;69.96,-29.34,;69.8,-30.87,;68.3,-31.2,;67.67,-32.6,;66.15,-32.77,;65.54,-34.17,;66.44,-35.41,;65.83,-36.82,;67.97,-35.24,;68.59,-33.83,;71.29,-28.57,;71.28,-27.03,;72.62,-29.34,;73.95,-28.56,;73.95,-27.02,;75.29,-26.25,;75.28,-24.71,;76.62,-23.94,;76.62,-22.41,;75.29,-21.64,;73.95,-22.4,;73.94,-23.95,;75.29,-29.33,;76.62,-28.56,;76.62,-27.02,;77.96,-29.33,;79.29,-28.55,;80.78,-28.96,;81.18,-27.47,;79.69,-27.07,)| Show InChI InChI=1S/C33H41FN4O4/c1-41-29-12-7-13-30(42-2)32(29)28-21-27(37-38(28)26-18-15-23(34)16-19-26)33(40)36-25(17-14-22-8-4-3-5-9-22)20-31(39)35-24-10-6-11-24/h7,12-13,15-16,18-19,21-22,24-25H,3-6,8-11,14,17,20H2,1-2H3,(H,35,39)(H,36,40)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	422	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair