BDBM50544752 CHEMBL4642566

SMILES: COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O

InChI Key: InChIKey=SXWKNJYKTDWHQS-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 = 50544752   

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))	BDBM50544752 (CHEMBL4642566) Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)| Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/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	3.26E+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))	BDBM50544752 (CHEMBL4642566) Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)| Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/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	380	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))	BDBM50544752 (CHEMBL4642566) Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)| Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/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	518	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