BDBM50544723 CHEMBL4649282

SMILES: COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O

InChI Key: InChIKey=CGMHWFIVPCMBJJ-NRFANRHFSA-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 = 50544723   

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))	BDBM50544723 (CHEMBL4649282) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O |r,wU:22.24,(63.7,-46.9,;64.33,-48.31,;63.43,-49.55,;61.9,-49.39,;60.99,-50.64,;61.61,-52.05,;63.14,-52.21,;63.77,-53.62,;62.86,-54.87,;64.05,-50.96,;65.59,-51.11,;66.62,-49.97,;68.02,-50.59,;67.87,-52.12,;66.36,-52.45,;65.74,-53.85,;66.65,-55.09,;66.04,-56.5,;68.19,-54.92,;69.36,-49.82,;69.35,-48.28,;70.69,-50.59,;72.02,-49.81,;72.02,-48.27,;73.35,-47.5,;73.35,-45.96,;74.68,-45.19,;74.69,-43.66,;73.35,-42.89,;72.02,-43.66,;72.01,-45.2,;73.36,-50.58,;74.69,-49.81,;74.69,-48.27,;76.03,-50.58,;77.36,-49.81,;78.69,-50.57,;80.03,-49.8,;78.7,-52.11,)| Show InChI InChI=1S/C29H42N4O6/c1-19(2)18-33-23(28-24(38-3)11-8-12-25(28)39-4)16-22(32-33)29(37)31-21(15-26(34)30-17-27(35)36)14-13-20-9-6-5-7-10-20/h8,11-12,16,19-21H,5-7,9-10,13-15,17-18H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t21-/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	8.87E+3	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
Apelin receptor (Homo sapiens (Human))	BDBM50544723 (CHEMBL4649282) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O |r,wU:22.24,(63.7,-46.9,;64.33,-48.31,;63.43,-49.55,;61.9,-49.39,;60.99,-50.64,;61.61,-52.05,;63.14,-52.21,;63.77,-53.62,;62.86,-54.87,;64.05,-50.96,;65.59,-51.11,;66.62,-49.97,;68.02,-50.59,;67.87,-52.12,;66.36,-52.45,;65.74,-53.85,;66.65,-55.09,;66.04,-56.5,;68.19,-54.92,;69.36,-49.82,;69.35,-48.28,;70.69,-50.59,;72.02,-49.81,;72.02,-48.27,;73.35,-47.5,;73.35,-45.96,;74.68,-45.19,;74.69,-43.66,;73.35,-42.89,;72.02,-43.66,;72.01,-45.2,;73.36,-50.58,;74.69,-49.81,;74.69,-48.27,;76.03,-50.58,;77.36,-49.81,;78.69,-50.57,;80.03,-49.8,;78.7,-52.11,)| Show InChI InChI=1S/C29H42N4O6/c1-19(2)18-33-23(28-24(38-3)11-8-12-25(28)39-4)16-22(32-33)29(37)31-21(15-26(34)30-17-27(35)36)14-13-20-9-6-5-7-10-20/h8,11-12,16,19-21H,5-7,9-10,13-15,17-18H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t21-/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	1.85E+3	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))	BDBM50544723 (CHEMBL4649282) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O |r,wU:22.24,(63.7,-46.9,;64.33,-48.31,;63.43,-49.55,;61.9,-49.39,;60.99,-50.64,;61.61,-52.05,;63.14,-52.21,;63.77,-53.62,;62.86,-54.87,;64.05,-50.96,;65.59,-51.11,;66.62,-49.97,;68.02,-50.59,;67.87,-52.12,;66.36,-52.45,;65.74,-53.85,;66.65,-55.09,;66.04,-56.5,;68.19,-54.92,;69.36,-49.82,;69.35,-48.28,;70.69,-50.59,;72.02,-49.81,;72.02,-48.27,;73.35,-47.5,;73.35,-45.96,;74.68,-45.19,;74.69,-43.66,;73.35,-42.89,;72.02,-43.66,;72.01,-45.2,;73.36,-50.58,;74.69,-49.81,;74.69,-48.27,;76.03,-50.58,;77.36,-49.81,;78.69,-50.57,;80.03,-49.8,;78.7,-52.11,)| Show InChI InChI=1S/C29H42N4O6/c1-19(2)18-33-23(28-24(38-3)11-8-12-25(28)39-4)16-22(32-33)29(37)31-21(15-26(34)30-17-27(35)36)14-13-20-9-6-5-7-10-20/h8,11-12,16,19-21H,5-7,9-10,13-15,17-18H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t21-/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	4.82E+3	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